⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3966749 | 0.86 | ALOX5 (0.35) | — | |
| SCHEMBL6536041 | 0.75 | ALOX5 (0.32) | — | |
| SCHEMBL6535756 | 0.73 | TDP1 (0.39) | — | |
| SCHEMBL6535758 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL6535648 | 0.70 | POLB (0.43) | — | |
| SCHEMBL3654298 | 0.70 | CASP1 (0.37) | — | |
| SCHEMBL6535654 | 0.69 | TDP1 (0.48) | — | |
| SCHEMBL6535896 | 0.68 | KDM4E (0.45) | — | |
| SCHEMBL22283000 | 0.67 | GAA (0.37) | — | |
| SCHEMBL6816261 | 0.66 | MAPT (0.40) | — |
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-1359887-A4 | PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR | P & G CLAIROL INC (US) | 2004-08-18 | — | — | EP | disclosed |
| US-6673932-B2 | Primary intermediates for oxidative coloration of hair | THE PROCTER & GAMBLE COMPANY | 2004-01-06 | — | — | US | disclosed |
| EP-1359887-A1 | PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR | P&G-Clairol, Inc. (US) | 2003-11-12 | — | — | EP | disclosed |
| US-20030131422-A1 | Primary intermediates for oxidative coloration of hair | WELLA OPERATIONS US, LLC | 2003-07-17 | — | — | US | disclosed |
| WO-2002058658-A1 | PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR | P&G - CLAIROL, INC. (US) | 2002-08-01 | — | — | WO | disclosed |