⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7252000 | 0.82 | TDP1 (0.39) | — | |
| SCHEMBL7254375 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL7250057 | 0.79 | ADH1B (0.35) | — | |
| SCHEMBL27718001 | 0.78 | THRB (0.35) | — | |
| SCHEMBL30439692 | 0.77 | — | — | |
| SCHEMBL7249644 | 0.77 | LMNA (0.35) | — | |
| SCHEMBL10456641 | 0.77 | TDP1 (0.48) | — | |
| SCHEMBL1069310 | 0.76 | — | — | |
| SCHEMBL7249656 | 0.75 | — | — | |
| SCHEMBL2633188 | 0.75 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9631048-B2 | Sulfonium compounds, their preparation and use | BASF SE (DE) | 2017-04-25 | — | — | US | disclosed |
| EP-2838927-A2 | SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE | BASF SE (DE) | 2015-02-25 | — | — | EP | disclosed |
| US-20150044509-A1 | SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE | BASF SE (DE) | 2015-02-12 | — | — | US | disclosed |
| US-20140005301-A1 | SULFONIUM SULFATES, THEIR PREPARATION AND USE | BASF SE (DE) | 2014-01-02 | — | — | US | disclosed |
| EP-2678311-A1 | SULFONIUM SULFATES, THEIR PREPARATION AND USE | BASF SE (DE) | 2014-01-01 | — | — | EP | disclosed |
| WO-2013156509-A2 | SULFONIUM COMPOUNDS, THEIR PREPARATION AND USE | BASF SE (DE) | 2013-10-24 | — | — | WO | disclosed |
| WO-2012113829-A1 | SULFONIUM SULFATES, THEIR PREPARATION AND USE | BASF SE (DE) | 2012-08-30 | — | — | WO | disclosed |
| US-6602825-B1 | Cyclization of an isocyanate with a thiourea and carbonic acid | BASF AKTIENGESELLSCHAFT (DE) | 2003-08-05 | — | — | US | disclosed |
| EP-0019388-B1 | PREPARATION OF TRIFLUOROMETHYL-SUBSTITUTED PHENOLS AND PHENATES AND THE PREPARATION, FROM THESE PHENOLS AND PHENATES, OF NITRO- AND TRIFLUOROMETHYL-SUBSTITUTED DIPHENYL ETHERS | ROHM AND HAAS COMPANY (US) | 1983-03-23 | — | — | EP | disclosed |
| US-4262152-A | REACTION OF TRIFLUOROMETHYLHALOBENZENE WITH A BASE IN A COSOLVENT SYSTEM TO YIELD A TRIFLUOROMETHYL PHENOLATE | ROHM AND HAAS COMPANY (US) | 1981-04-14 | — | — | US | disclosed |
| US-4259510-A | TREATING A TRIFLUOROMETHYLHALOBENZENE WITH A HYDROXIDE FOLLOWED BY ETHERIFICATION WITH A HALONITROBENZENE | ROHM AND HAAS COMPANY | 1981-03-31 | — | — | US | disclosed |
| EP-0019388-A1 | Preparation of trifluoromethyl-substituted phenols and phenates and the preparation, from these phenols and phenates, of nitro- and trifluoromethyl-substituted diphenyl ethers | ROHM AND HAAS COMPANY (US) | 1980-11-26 | — | — | EP | disclosed |