⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL16499154 | 1.00 | — | — | |
| SCHEMBL13219285 | 0.68 | CA1 (0.38) | — | |
| SCHEMBL28923908 | 0.67 | — | — | |
| SCHEMBL14997654 | 0.67 | TDP1 (0.35) | — | |
| SCHEMBL16104507 | 0.67 | TDP1 (0.35) | — | |
| SCHEMBL11834734 | 0.65 | F2R (0.39) | — | |
| SCHEMBL16498720 | 0.64 | TDP1 (0.36) | — | |
| SCHEMBL29348295 | 0.64 | HTR1A (0.30) | — | |
| SCHEMBL19576446 | 0.63 | — | — | |
| SCHEMBL8344751 | 0.61 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011162562-A2 | [6+5] FUSED BICYCLES AS A THROMBIN ANTAGONIST, PROCESS FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE BICYCLES | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2011-12-29 | — | — | WO | disclosed |