⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL862264 | 0.71 | ALDH1A1 (0.46) | — | |
| SCHEMBL17789200 | 0.69 | ALDH1A1 (0.44) | — | |
| SCHEMBL13259498 | 0.65 | ALDH1A1 (0.41) | — | |
| SCHEMBL12570995 | 0.65 | ALDH1A1 (0.41) | — | |
| SCHEMBL22237982 | 0.64 | TDO2 (0.44) | — | |
| SCHEMBL14945848 | 0.64 | POLB (0.30) | — | |
| SCHEMBL19832623 | 0.63 | — | — | |
| SCHEMBL16241270 | 0.62 | MGLL (0.37) | — | |
| SCHEMBL29645258 | 0.62 | — | — | |
| SCHEMBL10154032 | 0.62 | HSP90AA1 (0.41) | — |
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-2871198-B1 | METHOD FOR PRODUCING AROMATIC COMPOUND | SUMITOMO CHEMICAL CO (JP) | 2017-06-14 | — | — | EP | disclosed |