⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8038415 | 0.86 | ABL1 (0.31) | — | |
| SCHEMBL8039814 | 0.85 | MC4R (0.31) | — | |
| Hydrochloric Acid SCHEMBL8038003 | 0.85 | ABL1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL8027825 | 0.84 | MC4R (0.30) | — | |
| Hydrochloric Acid SCHEMBL8038029 | 0.80 | — | — | |
| SCHEMBL8027827 | 0.78 | — | — | |
| SCHEMBL8041476 | 0.74 | — | — | |
| SCHEMBL8039874 | 0.73 | — | — | |
| SCHEMBL8088062 | 0.72 | CYP1A2 (0.41) | — | |
| SCHEMBL8081896 | 0.72 | CYP1A2 (0.41) | — |
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-6060508-A | FOR TREATING URINARY STRESS INCONTINENCE, GASTROINTESTINAL DISORDERS, ULCERS, MIGRAINES | SYNTHELABO (FR) | 2000-05-09 | — | — | US | disclosed |
| EP-0923567-A1 | BENZYLAMINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS | SYNTHELABO (FR) | 1999-06-23 | — | — | EP | disclosed |
| WO-1998008834-A1 | BENZYLAMINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS | SYNTHELABO (FR) | 1998-03-05 | — | — | WO | disclosed |