⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5792791 | 0.74 | NPC1 (0.38) | — | |
| SCHEMBL84674 | 0.70 | — | — | |
| SCHEMBL1007868 | 0.70 | — | — | |
| SCHEMBL10934406 | 0.68 | — | — | |
| SCHEMBL15836969 | 0.65 | — | — | |
| SCHEMBL19728684 | 0.63 | RAB9A (0.45) | — | |
| SCHEMBL1884515 | 0.60 | — | — | |
| SCHEMBL7235298 | 0.60 | — | — | |
| SCHEMBL6356884 | 0.59 | — | — | |
| SCHEMBL3191368 | 0.58 | ALDH1A1 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2148647-B1 | HAIR DYE COMPOSITION | KAO CORP (JP) | 2016-04-06 | — | — | EP | disclosed |
| US-7824449-B2 | Hair dye composition | KAO CORPORATION (JP) | 2010-11-02 | — | — | US | disclosed |
| US-20100115710-A1 | HAIR DYE COMPOSITION | KAO CORPORATION (JP) | 2010-05-13 | — | — | US | disclosed |
| EP-2148647-A2 | HAIR DYE COMPOSITION | Kao Corporation (JP) | 2010-02-03 | — | — | EP | disclosed |
| WO-2008139985-A2 | HAIR DYE COMPOSITION | KAO CORPORATION (JP) | 2008-11-20 | — | — | WO | disclosed |