⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL178276 | 0.85 | — | — | |
| SCHEMBL68617 | 0.81 | ALDH1A1 (0.50) | — | |
| SCHEMBL1892583 | 0.79 | — | — | |
| SCHEMBL7659780 | 0.77 | CHRM5 (0.50) | — | |
| SCHEMBL64593 | 0.76 | ALDH1A1 (0.68) | — | |
| SCHEMBL17166586 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL5692186 | 0.75 | — | — | |
| SCHEMBL28037055 | 0.74 | — | — | |
| SCHEMBL29446779 | 0.74 | ALDH1A1 (0.65) | — | |
| Ammonia Solution, Strong SCHEMBL5679172 | 0.74 | ALDH1A1 (0.65) | — |
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-2285775-B1 | Lactams and their use in the treatment of inter alia ocular hypertension or baldness | ALLERGAN INC (US) | 2017-03-22 | — | — | EP | disclosed |
| EP-2504309-B1 | Synthesis of acetoxyacetaldehyde | LEK PHARMACEUTICALS (SI) | 2014-08-06 | — | — | EP | disclosed |