⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7779054 | 0.76 | — | — | |
| SCHEMBL7869318 | 0.69 | — | — | |
| SCHEMBL7774838 | 0.69 | — | — | |
| SCHEMBL8027827 | 0.62 | — | — | |
| SCHEMBL7781991 | 0.60 | CYP2D6 (0.31) | — | |
| SCHEMBL13740158 | 0.60 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL7779987 | 0.60 | MEN1 (0.33) | — | |
| SCHEMBL862486 | 0.58 | ALDH1A1 (0.56) | — | |
| SCHEMBL31201480 | 0.58 | ALDH1A1 (0.38) | — | |
| SCHEMBL12827022 | 0.57 | ALDH1A1 (0.50) | — |
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-6331549-B1 | TREATMENT OF URINARY STRESS INCONTINENCE, VENOUS INSUFFICIENCY, VENOUS ULCERS, MIGRAINE OR GASTROINTESTINAL DISORDERS | SANOFI-SYNTHELABO (FR) | 2001-12-18 | — | — | US | disclosed |
| EP-1131293-A1 | 1-AMINOETHYLQUINOLINE DERIVATIVES FOR TREATING URINARY INCONTINENCE | SANOFI-SYNTHELABO (FR) | 2001-09-12 | — | — | EP | disclosed |
| WO-2000029379-A1 | 1-AMINOETHYLQUINOLINE DERIVATIVES FOR TREATING URINARY INCONTINENCE | SANOFI-SYNTHELABO (FR) | 2000-05-25 | — | — | WO | disclosed |