⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21111119 | 0.77 | ALDH1A1 (1.00) | — | |
| SCHEMBL21111121 | 0.77 | ALDH1A1 (0.68) | — | |
| SCHEMBL21111106 | 0.72 | ALDH1A1 (0.79) | — | |
| Ammonia Solution, Strong SCHEMBL28914391 | 0.72 | — | — | |
| SCHEMBL22256228 | 0.72 | — | — | |
| SCHEMBL2534570 | 0.72 | — | — | |
| SCHEMBL21111146 | 0.72 | ALDH1A1 (0.79) | — | |
| SCHEMBL29061272 | 0.70 | — | — | |
| SCHEMBL28609350 | 0.69 | — | — | |
| SCHEMBL28611936 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0562832-A1 | Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use | SANKYO COMPANY LIMITED (JP) | 1993-09-29 | — | — | EP | disclosed |