⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1344967 | 0.86 | ALDH1A3 (0.39) | — | |
| SCHEMBL3104291 | 0.80 | KDM4E (0.41) | — | |
| SCHEMBL3958244 | 0.80 | CYP1A2 (0.39) | — | |
| SCHEMBL11788149 | 0.78 | CA1 (0.44) | — | |
| SCHEMBL9557952 | 0.78 | ALDH1A3 (0.34) | — | |
| SCHEMBL2960693 | 0.78 | ACHE (0.38) | — | |
| SCHEMBL1607620 | 0.77 | TAS1R3 (0.31) | — | |
| SCHEMBL3958401 | 0.77 | CYP1A1 (0.31) | — | |
| SCHEMBL2449735 | 0.77 | ESR2 (0.38) | — | |
| SCHEMBL6115215 | 0.77 | ALDH1A3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0207893-B1 | IMAGE-FORMING PROCESS | CIBA-GEIGY AG (CH) | 1990-01-03 | — | — | EP | disclosed |