SCHEMBL2020474

SCHEMBL2020474

N#CC[S+]([O-])CCC(F)(F)C(F)(F)C(F)(F)C(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
SCHEMBL1094282 0.72
SCHEMBL11985380 0.70
SCHEMBL7226896 0.70 TSHR (0.33)
SCHEMBL7037859 0.70
SCHEMBL8096641 0.69 ALDH1A1 (0.33)
SCHEMBL7217484 0.68
SCHEMBL9192100 0.67 ALDH1A1 (0.32)
SCHEMBL2171680 0.67 ALDH1A1 (0.32)
SCHEMBL9577681 0.67 ALDH1A1 (0.32)
SCHEMBL3058414 0.64 LMNA (0.37)

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162429-B1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2016-04-13 EP disclosed
EP-2162429-B1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2016-04-13 EP disclosed
US-8247596-B2 Halogen-containing organosulfur compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
US-8247596-B2 Halogen-containing organosulfur compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-21 US disclosed
EP-2347653-A2 Animal ectoparasite control composition Sumitomo Chemical Company, Limited (JP) 2011-07-27 EP disclosed
US-20110160251-A1 ANIMAL ECTOPARASITE CONTROL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-30 US disclosed
US-20110160251-A1 ANIMAL ECTOPARASITE CONTROL COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-30 US disclosed
US-20100160422-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
US-20100160422-A1 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2162429-A2 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2010-03-17 EP disclosed
WO-2009005110-A2 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-08 WO disclosed
WO-2009005110-A2 HALOGEN-CONTAINING ORGANOSULFUR COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-08 WO disclosed