⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL10911861 | 0.70 | — | — | |
| SCHEMBL10756972 | 0.62 | — | — | |
| SCHEMBL9118567 | 0.61 | — | — | |
| SCHEMBL28575960 | 0.57 | — | — | |
| SCHEMBL9593262 | 0.55 | — | — | |
| SCHEMBL17212910 | 0.53 | — | — | |
| Methylamine SCHEMBL8761530 | 0.52 | — | — | |
| SCHEMBL8989036 | 0.52 | HTR2A (0.31) | — | |
| SCHEMBL11077334 | 0.52 | NOS3 (0.33) | — | |
| SCHEMBL8374407 | 0.52 | NOS3 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0059553-B1 | OCTAHYDROBENZO(F)QUINOLINE COMPOUNDS | SMITHKLINE BECKMAN CORPORATION (US) | 1985-01-09 | — | — | EP | disclosed |
| EP-0059553-A2 | Octahydrobenzo(f)quinoline compounds | SMITHKLINE BECKMAN CORPORATION (US) | 1982-09-08 | — | — | EP | disclosed |
| US-4341786-A | ANTIDEPRESSANTS; ADRENERGIC STIMULANTS | SMITHKLINE CORPORATION (US) | 1982-07-27 | — | — | US | disclosed |