⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8946051 | 0.81 | NPEPPS (0.37) | — | |
| SCHEMBL11270824 | 0.79 | CHRNB2 (0.37) | — | |
| Hydrochloric Acid SCHEMBL8946103 | 0.79 | NPEPPS (0.36) | — | |
| Hydrochloric Acid SCHEMBL8945986 | 0.79 | NPEPPS (0.36) | — | |
| SCHEMBL8946003 | 0.79 | CYP2D6 (0.30) | — | |
| SCHEMBL8946195 | 0.77 | HSD11B1 (0.31) | — | |
| SCHEMBL8945976 | 0.77 | ADRA1A (0.45) | — | |
| SCHEMBL8945942 | 0.77 | — | — | |
| SCHEMBL8946144 | 0.76 | CYP19A1 (0.34) | — | |
| SCHEMBL9583461 | 0.76 | MAOA (0.40) | — |
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-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 |
| EP-0322582-A2 | 4-Heteroaryl-1,3-Benzodiazepines and 2-substituted-alpha-(heteroaryl)benzeneethanamines, a process for their preparation and their use us medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1989-07-05 | — | — | EP | disclosed |