SCHEMBL915911

SCHEMBL915911

Cc1cc(C)c(-n2cnc(C(F)(F)F)n2)cc1SCC(F)(F)F

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL12880334 0.90
SCHEMBL12887566 0.90
SCHEMBL12887561 0.88 HTR2A (0.33)
SCHEMBL12887637 0.88 HTR2A (0.30)
SCHEMBL28555045 0.86
SCHEMBL1233777 0.85
SCHEMBL29558776 0.85
SCHEMBL28561007 0.85
SCHEMBL29558817 0.85
SCHEMBL1234790 0.85

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471290-B The preparation method of chiral 3-triazolyl sulfoxide derivant BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-03 CN disclosed
EP-2467021-B1 3-[1-(3-HALOALKYL)-TRIAZOLYL]-PHENYL-SULPHIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER IP GMBH (DE) 2015-10-28 EP disclosed
EP-2226317-B1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF IHARA CHEMICAL IND CO (JP) 2015-08-12 EP disclosed
EP-2454242-B1 METHOD FOR PRODUCING CHIRAL 3-TRIAZOLYL-SULFOXIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-10-15 EP disclosed
US-20140256953-A1 Process for Preparing Chiral 3-Triazolyl Sulphoxide Derivatives BAYER CROPSCIENCE AG (DE) 2014-09-11 US disclosed
US-8765970-B2 Process for preparing chiral 3-triazolyl sulphoxide derivatives BAYER CROPSCIENCE AG (DE) 2014-07-01 US disclosed
US-8722717-B2 3-triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2014-05-13 US disclosed
US-8722717-B2 3-triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2014-05-13 US disclosed
US-8648207-B2 Aryl (1H-1,2,4-triazol-1-yl) compound, and process for production thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2014-02-11 US disclosed
US-8632767-B2 3-[1-(3-haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-21 US disclosed
WO-2011029506-A1 3-[1-(3-HALOALKYL)-TRIAZOLYL]-PHENYL-SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2011-03-17 WO disclosed
US-20110045104-A1 3-[1-(3-Haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2011-02-24 US disclosed
US-20110045104-A1 3-[1-(3-Haloalkyl)triazolyl]phenyl sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2011-02-24 US disclosed
US-20110046194-A1 3-Triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2011-02-24 US disclosed
WO-2011020567-A1 3-TRIAZOLYLPHENYL-SUBSTITUTED SULFIDE DERIVATIVES FOR USE AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2011-02-24 WO disclosed
US-20110046194-A1 3-Triazolylphenyl-substituted sulphide derivatives as acaricides and insecticides BAYER CROPSCIENCE AG (DE) 2011-02-24 US disclosed
WO-2011006646-A1 METHOD FOR PRODUCING CHIRAL 3-TRIAZOLYL-SULFOXIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-01-20 WO disclosed
US-20110015405-A1 Process for preparing chiral 3-triazolyl sulphoxide derivatives BAYER CROPSCIENCE AG (DE) 2011-01-20 US disclosed
US-20100256386-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND AND PROCESS FOR PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-07 US disclosed
EP-2226317-A1 ARYL (1H-1,2,4-TRIAZOL-1-YL) COMPOUND, AND PROCESS FOR PRODUCTION THEREOF IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-09-08 EP disclosed