⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3459512 | 0.55 | — | — | |
| SCHEMBL7886293 | 0.55 | ALOX5 (0.37) | — | |
| SCHEMBL9526123 | 0.55 | — | — | |
| SCHEMBL31397625 | 0.55 | — | — | |
| SCHEMBL11203896 | 0.55 | — | — | |
| SCHEMBL49151 | 0.53 | — | — | |
| Benzene SCHEMBL9698786 | 0.51 | — | — | |
| SCHEMBL5842341 | 0.49 | TDP1 (0.33) | — | |
| SCHEMBL4278544 | 0.49 | TDP1 (0.39) | — | |
| SCHEMBL63871 | 0.48 | TDP1 (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010123863-A2 | KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 2010-10-28 | — | — | WO | claimed |
| WO-2010123863-A2 | KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND USE THEREOF | THE PROCTER & GAMBLE COMPANY (US) | 2010-10-28 | — | — | WO | disclosed |