⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6242308 | 0.71 | — | — | |
| SCHEMBL4633351 | 0.67 | — | — | |
| SCHEMBL4633350 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL8069965 | 0.67 | LPO (0.36) | — | |
| SCHEMBL5935359 | 0.67 | LPO (0.36) | — | |
| SCHEMBL5749642 | 0.63 | LPO (0.33) | — | |
| SCHEMBL18778746 | 0.63 | LPO (0.33) | — | |
| SCHEMBL4620271 | 0.63 | LPO (0.31) | — | |
| SCHEMBL4616230 | 0.61 | GPR3 (0.44) | — | |
| SCHEMBL31554245 | 0.60 | LPO (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 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 |