⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4621687 | 0.61 | — | — | |
| SCHEMBL4616230 | 0.55 | GPR3 (0.44) | — | |
| SCHEMBL20843913 | 0.54 | — | — | |
| Hydrochloric Acid SCHEMBL11514668 | 0.54 | GPR3 (0.42) | — | |
| SCHEMBL21719676 | 0.51 | ALDH1A1 (0.31) | — | |
| SCHEMBL20843899 | 0.50 | — | — | |
| SCHEMBL28098721 | 0.47 | CA1 (0.40) | — | |
| SCHEMBL21737615 | 0.47 | — | — | |
| SCHEMBL6242308 | 0.42 | — | — | |
| SCHEMBL14959356 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1601335-B1 | MEANS AND METHOD FOR THE SIMULTANEOUS BLEACHING AND DYEING OF KERATIN FIBRES | WELLA AG (DE) | 2008-03-19 | — | — | EP | claimed |
| WO-2002074268-A2 | DYEING COMPOSITIONS FOR THE DYEING OF KERATIN FIBRES, COMPRISING HETEROCYCLIC HYDRAZONE COMPOUNDS | L'OREAL (FR) | 2002-09-26 | — | — | WO | disclosed |