⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2385229 | 0.77 | — | — | |
| SCHEMBL19987907 | 0.75 | — | — | |
| SCHEMBL5921302 | 0.74 | — | — | |
| SCHEMBL4476453 | 0.73 | — | — | |
| SCHEMBL28380082 | 0.72 | — | — | |
| SCHEMBL7751767 | 0.71 | NFKB1 (0.32) | — | |
| SCHEMBL22689603 | 0.71 | CYP1A2 (0.30) | — | |
| SCHEMBL14168800 | 0.71 | — | — | |
| SCHEMBL23071494 | 0.70 | DNM1 (0.35) | — | |
| SCHEMBL15283109 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1542652-A1 | PRODUCTS WITH SELECTED QUATERNARY AMINO FUNCTIONAL SILICONE ELASTOMERS | Colgate-Palmolive Company (US) | 2005-06-22 | — | — | EP | disclosed |
| US-20040062738-A1 | Products with selected quaternary amino functional silicone elastomers | COLGATE-PALMOLIVE COMPANY | 2004-04-01 | — | — | US | disclosed |
| WO-2004010967-A1 | PRODUCTS WITH SELECTED QUATERNARY AMINO FUNCTIONAL SILICONE ELASTOMERS | COLGATE-PALMOLIVE COMPANY (US) | 2004-02-05 | — | — | WO | disclosed |