⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27490098 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL8523812 | 0.76 | — | — | |
| SCHEMBL27554971 | 0.73 | — | — | |
| SCHEMBL31685960 | 0.71 | — | — | |
| SCHEMBL29615421 | 0.66 | — | — | |
| SCHEMBL511838 | 0.59 | — | — | |
| SCHEMBL9042449 | 0.57 | — | — | |
| SCHEMBL5198637 | 0.55 | — | — | |
| SCHEMBL8507526 | 0.54 | — | — | |
| SCHEMBL2422256 | 0.53 | — | — |
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 |