⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7565012 | 0.88 | CYP2D6 (0.35) | — | |
| Crotonic Acid SCHEMBL2406680 | 0.86 | ALOX15 (0.36) | — | |
| Crotonic Acid SCHEMBL11525007 | 0.86 | ALOX15 (0.36) | — | |
| Crotonic Acid SCHEMBL1618932 | 0.86 | ALOX15 (0.36) | — | |
| Crotonic Acid SCHEMBL27396103 | 0.80 | FFAR3 (0.40) | — | |
| Maleic Acid SCHEMBL3703143 | 0.73 | TSHR (0.50) | — | |
| Fumaric Acid SCHEMBL4979324 | 0.73 | TSHR (0.50) | — | |
| Fumaric Acid SCHEMBL3703148 | 0.73 | TSHR (0.50) | — | |
| SCHEMBL22624 | 0.73 | — | — | |
| SCHEMBL14691575 | 0.73 | — | — |
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-0983040-B1 | HAIR FIXING COMPOSITION | COLGATE PALMOLIVE CO (US) | 2003-01-15 | — | — | EP | disclosed |
| EP-0983040-A1 | HAIR FIXING COMPOSITION | Colgate-Palmolive Company (a Delaware corporation) (US) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998052517-A1 | HAIR FIXING COMPOSITION | COLGATE-PALMOLIVE COMPANY (US) | 1998-11-26 | — | — | WO | disclosed |
| WO-1998038972-A1 | HAIR FIXING COMPOSITION | COLGATE-PALMOLIVE COMPANY (US) | 1998-09-11 | — | — | WO | disclosed |
| US-5702692-A | HAIR SPRAY COMPRISING VINYL ACETATE-VINYLPYRROLIDONE COPOLYMER, NEUTRALIZED TERPOLYMER OF TERTIARY-BUTYL ACRYLATE, ETHYL ACRYLATE, METHACRYLIC ACID IN COMPATIBLE SOLVENT SYSTEM | COLGATE-PALMOLIVE COMPANY (US) | 1997-12-30 | — | — | US | disclosed |