⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL167662 | 0.61 | — | — | |
| SCHEMBL14084133 | 0.46 | — | — | |
| SCHEMBL5115934 | 0.42 | — | — | |
| SCHEMBL4072850 | 0.41 | MAPT (0.32) | — | |
| SCHEMBL258315 | 0.37 | ALDH1A1 (0.33) | — | |
| Methyl Alcohol SCHEMBL8575320 | 0.37 | — | — | |
| Methylene Chloride SCHEMBL5156003 | 0.37 | — | — | |
| Alcohol SCHEMBL8027671 | 0.35 | ALDH1A1 (0.67) | — | |
| Alcohol SCHEMBL10709971 | 0.35 | ALDH1A1 (0.67) | — | |
| Alcohol SCHEMBL697179 | 0.35 | ALDH1A1 (0.67) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3189105-B1 | PRODUCTS PRESERVED WITH 5-CHLORO-2-METHYL-4-ISOTHIAZOLIN-3-ONE | THOR GMBH (DE) | 2023-06-28 | — | — | EP | disclosed |
| EP-1119339-B1 | STABILIZED SHAMPOO CONTAINING SILOXYSILICATE MATERIAL | COLGATE PALMOLIVE CO (US) | 2007-09-26 | — | — | EP | disclosed |
| US-6294159-B1 | SILOXYSILICATE POLYMER (KNOWN AS MQ SILICONE RESINS) | COLGATE PALMOLIVE COMPANY | 2001-09-25 | — | — | US | disclosed |
| US-6287546-B1 | CONTAINING SURFACTANT MIXTURES | COLGATE-PALMOLIVE COMPANY | 2001-09-11 | — | — | US | disclosed |
| EP-1119339-A1 | STABILIZED SHAMPOO CONTAINING SILOXYSILICATE MATERIAL | Colgate-Palmolive Company (US) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000021494-A1 | STABILIZED SHAMPOO CONTAINING SILOXYSILICATE MATERIAL | COLGATE-PALMOLIVE COMPANY (US) | 2000-04-20 | — | — | WO | disclosed |