⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18052645 | 1.00 | — | — | |
| SCHEMBL2467501 | 1.00 | — | — | |
| SCHEMBL29204812 | 0.94 | USP2 (0.46) | — | |
| SCHEMBL3115802 | 0.93 | USP2 (0.49) | — | |
| SCHEMBL3123238 | 0.91 | USP2 (0.51) | — | |
| SCHEMBL8483019 | 0.91 | USP2 (0.51) | — | |
| SCHEMBL17494179 | 0.91 | USP2 (0.51) | — | |
| SCHEMBL3116470 | 0.91 | USP2 (0.51) | — | |
| SCHEMBL3111942 | 0.91 | USP2 (0.51) | — | |
| 3-Octanol SCHEMBL28698995 | 0.86 | TSHR (0.61) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1131270-B1 | PROCESS FOR CONVERTING AN ALCOHOL TO THE CORRESPONDING FLUORIDE | 3M INNOVATIVE PROPERTIES CO (US) | 2004-04-07 | — | — | EP | disclosed |
| EP-1131270-A1 | PROCESS FOR CONVERTING AN ALCOHOL TO THE CORRESPONDING FLUORIDE | 3M Innovative Properties Company (US) | 2001-09-12 | — | — | EP | disclosed |
| US-6248889-B1 | FORMING MIXTURE COMPRISING AT LEAST ONE FLUORINATED, SATURATED ALIPHATIC OR ALICYCLIC SULFONYL FLUORIDE AND AT LEAST ONE PRIMARY OR SECONDARY ALCOHOL, ADDING MOLAR EXCESS OF STRONG, APROTIC, NON-NUCLEOPHILIC HINERED ORGANIC BASE | 3M INNOVATIVE PROPERTIES COMPANY | 2001-06-19 | — | — | US | disclosed |
| WO-2000031003-A1 | PROCESS FOR CONVERTING AN ALCOHOL TO THE CORRESPONDING FLUORIDE | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2000-06-02 | — | — | WO | disclosed |