⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL474897 | 1.00 | — | — | |
| SCHEMBL347164 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL347994 | 0.98 | ACHE (0.34) | — | |
| Hydrochloric Acid SCHEMBL347993 | 0.98 | ACHE (0.34) | — | |
| Hydrochloric Acid SCHEMBL21243978 | 0.98 | ACHE (0.34) | — | |
| Hydrochloric Acid SCHEMBL475087 | 0.98 | ACHE (0.34) | — | |
| Hydrochloric Acid SCHEMBL346915 | 0.98 | ACHE (0.34) | — | |
| SCHEMBL15450836 | 0.83 | — | — | |
| SCHEMBL4775678 | 0.82 | KDM1A (0.33) | — | |
| SCHEMBL4775672 | 0.82 | KDM1A (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2410857-B1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK SHARP & DOHME (US) | 2014-01-29 | — | — | EP | disclosed |
| US-8153626-B2 | Substituted diazepine sulfonamides as bombesin receptor subtype-3 modulators | MERCK SHARP & DOHME CORP. (US) | 2012-04-10 | — | — | US | disclosed |
| US-20100317645-A1 | SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS | MERCK SHARP & DOHME LLC | 2010-12-16 | — | — | US | disclosed |