⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8945916 | 0.99 | CYP3A4 (0.30) | — | |
| SCHEMBL9425585 | 0.82 | CYP3A4 (0.36) | — | |
| SCHEMBL8945834 | 0.81 | MAPT (0.30) | — | |
| Hydrochloric Acid SCHEMBL8945978 | 0.81 | CYP3A4 (0.35) | — | |
| SCHEMBL8946017 | 0.80 | ALOX5 (0.33) | — | |
| SCHEMBL9582838 | 0.79 | CYP3A4 (0.38) | — | |
| SCHEMBL8945984 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL9582409 | 0.78 | CYP3A4 (0.41) | — | |
| SCHEMBL8945940 | 0.77 | KDM4E (0.31) | — | |
| SCHEMBL8945903 | 0.77 | LTA4H (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5292760-A | 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-03-08 | — | — | US | claimed |
| US-5510346-A | ANTIDEPRESSANTS, ANTIANXIETY AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1996-04-23 | — | — | US | disclosed |
| US-5292760-A | 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-03-08 | — | — | US | disclosed |