⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9289391 | 0.73 | — | — | |
| SCHEMBL8991888 | 0.70 | POLB (0.31) | — | |
| SCHEMBL29046152 | 0.68 | — | — | |
| SCHEMBL585569 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL2362369 | 0.66 | — | — | |
| SCHEMBL4187679 | 0.64 | MEN1 (0.36) | — | |
| SCHEMBL11443331 | 0.64 | CYP3A4 (0.31) | — | |
| SCHEMBL11294688 | 0.63 | — | — | |
| SCHEMBL6757124 | 0.63 | — | — | |
| SCHEMBL1797594 | 0.62 | KDM4E (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1552813-B1 | Hair dyeing composition comprising a fluorindinium compound. | OREAL (FR) | 2008-03-12 | — | — | EP | claimed |
| EP-0581954-A1 | USE OF -g(a)-HYDROXYKETOALKYL DERIVATIVES AS PROTECTIVE LIGHT FILTERS. | MERCK PATENT GMBH (DE) | 1994-02-09 | — | — | EP | disclosed |
| WO-1993016026-A1 | USE OF α-HYDROXYKETOALKYL DERIVATIVES AS PROTECTIVE LIGHT FILTERS | MERCK PATENT GMBH (DE) | 1993-08-19 | — | — | WO | disclosed |