⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL6159489 | 0.97 | CA2 (0.33) | — | |
| SCHEMBL29655 | 0.97 | — | — | |
| SCHEMBL15349414 | 0.97 | CA2 (0.36) | — | |
| SCHEMBL28900865 | 0.97 | CA2 (0.36) | — | |
| SCHEMBL9055917 | 0.95 | — | — | |
| SCHEMBL2548470 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL15918860 | 0.95 | — | — | |
| SCHEMBL2540927 | 0.95 | — | — | |
| SCHEMBL2537776 | 0.95 | — | — | |
| SCHEMBL2541678 | 0.95 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060024344-A1 | Capsicum shark repellent | MATOS GONZALO R | 2006-02-02 | — | — | US | disclosed |
| US-5543073-A | ANIONIC, NONIONIC SURFACTANTS, ETHER COSURFACTANT; SOLUBILIZING POWER | COLGATE-PALMOLIVE COMPANY (US) | 1996-08-06 | — | — | US | disclosed |
| EP-0620271-A1 | Microemulsion cleaning composition comprising a glycol mono-alkyl ether | Colgate-Palmolive Company (US) | 1994-10-19 | — | — | EP | disclosed |