⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13398977 | 0.81 | — | — | |
| SCHEMBL14221248 | 0.78 | MAPT (0.32) | — | |
| SCHEMBL12101244 | 0.67 | MEN1 (0.38) | — | |
| SCHEMBL13301530 | 0.65 | — | — | |
| SCHEMBL17897725 | 0.63 | MEN1 (0.31) | — | |
| SCHEMBL13419346 | 0.63 | — | — | |
| SCHEMBL13398992 | 0.61 | — | — | |
| SCHEMBL13270729 | 0.60 | — | — | |
| SCHEMBL801852 | 0.60 | INMT (0.35) | — | |
| SCHEMBL17445955 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7407648-B2 | Merocyanine derivatives for cosmetic use | CIBA SPECIALTY CHEMICALS CORP. (US) | 2008-08-05 | — | — | US | disclosed |