⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14745845 | 0.80 | TDP1 (0.33) | — | |
| SCHEMBL8239364 | 0.67 | — | — | |
| SCHEMBL18270917 | 0.67 | NQO1 (0.35) | — | |
| SCHEMBL20342093 | 0.67 | — | — | |
| SCHEMBL6896355 | 0.66 | — | — | |
| SCHEMBL4093165 | 0.65 | VHL (0.60) | — | |
| SCHEMBL24348876 | 0.64 | VHL (0.42) | — | |
| SCHEMBL2170147 | 0.64 | VHL (0.39) | — | |
| SCHEMBL1809792 | 0.64 | ALDH1A1 (0.42) | — | |
| SCHEMBL10736985 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2102201-A2 | SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS | Merck & Co., Inc. (US) | 2009-09-23 | — | — | EP | disclosed |
| WO-2008073311-A2 | SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS | MERCK & CO., INC. (US) | 2008-06-19 | — | — | WO | disclosed |