⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8945781 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL8945916 | 0.77 | CYP3A4 (0.30) | — | |
| SCHEMBL8946017 | 0.72 | ALOX5 (0.33) | — | |
| SCHEMBL8945903 | 0.69 | LTA4H (0.36) | — | |
| SCHEMBL3955675 | 0.69 | TAAR1 (0.53) | — | |
| SCHEMBL8945778 | 0.69 | SLC6A2 (0.37) | — | |
| SCHEMBL8476243 | 0.69 | TAAR1 (0.53) | — | |
| Hydrochloric Acid SCHEMBL9116052 | 0.67 | TAAR1 (0.52) | — | |
| SCHEMBL9425163 | 0.67 | ALOX5 (0.35) | — | |
| Hydrochloric Acid SCHEMBL8945808 | 0.67 | LTA4H (0.37) | — |
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 1 patent. 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 |