⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8504912 | 0.67 | — | — | |
| SCHEMBL2972865 | 0.67 | — | — | |
| SCHEMBL302146 | 0.64 | — | — | |
| SCHEMBL3570394 | 0.64 | — | — | |
| SCHEMBL1237885 | 0.64 | — | — | |
| SCHEMBL4766804 | 0.64 | — | — | |
| SCHEMBL6681816 | 0.61 | — | — | |
| SCHEMBL9540531 | 0.61 | — | — | |
| SCHEMBL254 | 0.61 | — | — | |
| SCHEMBL27986358 | 0.61 | CA5A (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6365769-B1 | INCLUDING ALCOHOLS, ACIDS, ESTERS, AMIDES, ETHERS, ACRYLATES, SULFONATES AND OLEFINS WITH BOTH STRAIGHT AND BRANCHED CHAINS; SOLUBILITY; IMPART BETTER OIL AND WATER REPELLANCY TO TEXTILE TREATING AGENTS AND SURFACTANTS | 3M INNOVATIVE PROPERTIES COMPANY | 2002-04-02 | — | — | US | disclosed |
| US-6048952-A | POLYMER WITH PERFLUOROALKYL PENDANT GROUPS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2000-04-11 | — | — | US | disclosed |
| US-5852148-A | Perfluoroalkyl halides and derivatives | MINNESOTA MINING & MANUFACTURING COMPANY (US) | 1998-12-22 | — | — | US | disclosed |
| EP-0526976-B1 | Perfluoroalkyl halides and derivatives | MINNESOTA MINING & MFG (US) | 1997-01-15 | — | — | EP | disclosed |
| EP-0526976-A1 | Perfluoroalkyl halides and derivatives | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1993-02-10 | — | — | EP | disclosed |
| EP-0430579-A2 | Fluoroaliphatic-group-substituted esters and method of making the same | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1991-06-05 | — | — | EP | disclosed |