SynthArenav0.5.0
Navigation
  • Home
  • Stocks
  • Benchmarks
  • Runs
  • Leaderboard
  • Algorithms
Menus
    • How It Works
    • Benchmarks
    • Metrics
  • Why This Exists?
  • Changelog
  • Roadmap
  • Submit Results

From isChemist

Essays and software that make better scientific questions possible.

NewsletterStatus
  1. Home
  2. Runs
  3. Retro* (High) on uspto-190
Target 16 of 190

Retro* (High)onuspto-190

Part of the Retro* algorithm family
Community
139
Routes Found
111.6 min
Total Duration
$0.33
Cost
Aug 4, 2026
Executed
Overall Metrics
Performance metrics across all targets in the benchmark. Hover over values to see 95% confidence intervals.
Tier-0 validSolv-0[buyables-stock]Top-1Top-3Top-5Top-10Top-20Top-50Top-100
73.2%73.2%16.8%16.8%16.8%16.8%16.8%16.8%16.8%

n = 190 targets

Metrics by Benchmark Stratum
Target-level performance using RetroCast's exact reported strata.
StratumTier-0 validSolv-0[buyables-stock]Top-1Top-3Top-5Top-10Top-20Top-50Top-100n
depth 294.4%94.4%61.1%61.1%61.1%61.1%61.1%61.1%61.1%18
depth 379.2%79.2%12.5%12.5%12.5%12.5%12.5%12.5%12.5%24
depth 473.1%73.1%30.8%30.8%30.8%30.8%30.8%30.8%30.8%26
depth 569.2%69.2%3.8%3.8%3.8%3.8%3.8%3.8%3.8%26
depth 673.1%73.1%7.7%7.7%7.7%7.7%7.7%7.7%7.7%26
depth 761.1%61.1%16.7%16.7%16.7%16.7%16.7%16.7%16.7%18
depth 869.2%69.2%30.8%30.8%30.8%30.8%30.8%30.8%30.8%13
depth 966.7%66.7%0.0%0.0%0.0%0.0%0.0%0.0%0.0%9
depth 1069.2%69.2%0.0%0.0%0.0%0.0%0.0%0.0%0.0%13
depth 1175.0%75.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%12
depth 1275.0%75.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%4
depth 140.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%0.0%1

Confidence intervals available on hover. Reliability indicators show LOW_N (insufficient samples) or EXTREME_P (value near boundary).

USPTO-016/190

5 stepsConvergentHas Acceptable Routes

SMILES

COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1

InChiKey

UGKXQLDRNCBBGQ-UHFFFAOYSA-N

Prediction Route
Rank 1 • Length: 3 steps • Convergent
View:
Tier-0 validSolv-0[buyables-stock] pass
smiles
COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)NC(CO)Cc3c[nH]c4cccnc34)c2c1
inchikey
UGKXQLDRNCBBGQ-UHFFFAOYSA-N
smiles
COc1ccc2nc(-c3ccc(OC)c(F)c3)nc(C(=O)O)c2c1
inchikey
MKKNOFAPGWTHNA-UHFFFAOYSA-N
smiles
COc1ccc(NC(=O)c2ccc(OC)c(F)c2)c(C(=O)C(=O)O)c1
inchikey
NNSQYUZQJREJMQ-UHFFFAOYSA-N
smiles
COc1ccc2c(c1)C(=O)C(=O)N2
inchikey
DMHGXMPXHPOXBF-UHFFFAOYSA-N
buyable information
vendorLabNetwork
price$1.0/g
vendor page
LabNet$1.0/g
smiles
COc1ccc(C(=O)Cl)cc1F
inchikey
LOSBAHQDKBWMBY-UHFFFAOYSA-N
buyable information
vendoreMolecules
price$2.0/g
vendor page
eMols$2.0/g
smiles
C1CCOC1
inchikey
WYURNTSHIVDZCO-UHFFFAOYSA-N
buyable information
vendorSigma-Aldrich
price$10.0/g
vendor page
SigmAld$10.0/g
smiles
N
inchikey
QGZKDVFQNNGYKY-UHFFFAOYSA-N
buyable information
vendorSigma-Aldrich
price$32.0/g
vendor page
SigmAld$32.0/g
smiles
NC(CO)Cc1c[nH]c2cccnc12
inchikey
UFFUKUDVPCVKNZ-UHFFFAOYSA-N
smiles
N[C@@H](Cc1c[nH]c2cccnc12)C(=O)O
inchikey
FICCYWIDRZLXIS-ZETCQYMHSA-N
smiles
N[C@@H](Cc1ccccn1)C(=O)O
inchikey
PDRJLZDUOULRHE-ZETCQYMHSA-N
buyable information
vendoreMolecules
price$25.0/g
vendor page
eMols$25.0/g
smiles
C[C@H](N)C(=O)O
inchikey
QNAYBMKLOCPYGJ-REOHCLBHSA-N
buyable information
vendorMcule
price$0.20/g
lead time7-21days
vendor page
Mcule$0.20/g
React Flow
Press enter or space to select a node. You can then use the arrow keys to move the node around. Press delete to remove it and escape to cancel.
Press enter or space to select an edge. You can then press delete to remove it or escape to cancel.
legend:in stockavailable molecule