⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10287789 | 0.88 | — | — | |
| Bromide SCHEMBL5411042 | 0.82 | — | — | |
| SCHEMBL23222940 | 0.78 | — | — | |
| SCHEMBL94353 | 0.72 | — | — | |
| SCHEMBL6775241 | 0.72 | — | — | |
| SCHEMBL22538 | 0.72 | — | — | |
| Tert-Butylamine SCHEMBL6064515 | 0.72 | FDPS (0.33) | — | |
| SCHEMBL3729569 | 0.72 | — | — | |
| SCHEMBL830743 | 0.72 | — | — | |
| SCHEMBL111550 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0254623-B1 | AMINOALKYLTHIO TRIAZOLOPYRIDINE OR TRIAZOLOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, MEDICAMENTS CONTAINING THEM, PARTICULARLY USEFUL AS ANTALGICS | LABORATOIRES UPSA (FR) | 1993-06-09 | — | — | EP | disclosed |
| EP-0254623-A1 | Aminoalkylthio triazolopyridine or triazoloquinoline derivatives, process for their preparation, medicaments containing them, particularly useful as antalgics | LABORATOIRES UPSA (FR) | 1988-01-27 | — | — | EP | disclosed |