SCHEMBL978014

SCHEMBL978014

C[Sn](C)(C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
CES2 O00748 1/20 0.44
MGLL Q99685 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NFE2L2 Q16236 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
IDO1 P14902 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
IDH2 P48735 1/20 0.40
RAPGEF4 Q8WZA2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL9534416 0.78 TSHR (0.44) TSHRMAPK1CES2MGLLHTR2A
SCHEMBL8503222 0.77 CES2 (0.41) TSHRCES2ALDH1A1IDO1RAPGEF4
SCHEMBL15267169 0.75 ACHE (0.35)
SCHEMBL62723 0.75 TSHR (0.67) TSHRMAPK1CES2MGLLHTR2A
Methylamine SCHEMBL27581718 0.74 TSHR (0.65) TSHRMAPK1CES2MGLLHTR2A
Methyl Alcohol SCHEMBL9419583 0.74 TSHR (0.58) TSHRMAPK1CES2MGLLHTR2A
SCHEMBL30553105 0.73 TSHR (0.64) TSHRMAPK1CES2MGLLHTR2A
SCHEMBL28126330 0.73 TSHR (0.64) TSHRMAPK1CES2MGLLHTR2A
Fluoride SCHEMBL30661872 0.73 TSHR (0.64) TSHRMAPK1CES2MGLLHTR2A
Benzene SCHEMBL8568955 0.73 TSHR (0.67) TSHRMAPK1CES2MGLLHTR2A

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-2270064-B1 Organic semiconductor polymer, transistor including an organic semiconductor polymer and methods of fabricating the same SAMSUNG ELECTRONICS CO LTD (KR) 2020-02-19 EP disclosed
US-8809839-B2 Organic semiconductor polymer, transistor including an organic semiconductor polymer and methods of fabricating the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2014-08-19 US disclosed
US-20110001131-A1 Organic semiconductor polymer, transistor including an organic semiconductor polymer and methods of fabricating the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-01-06 US disclosed
EP-2270064-A1 Organic semiconductor polymer, transistor including an organic semiconductor polymer and methods of fabricating the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-01-05 EP disclosed
EP-2034998-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-03-18 EP disclosed
WO-2008079427-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 WO disclosed
US-5491126-A BENZOTRIAZINE DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-02-13 US disclosed
US-5389600-A A phenyl quinoxaline or benzotriazine antigrowth agents E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-02-14 US disclosed
EP-0559843-B1 SUBSTITUTED N-HETEROBICYCLIC HERBICIDES DU PONT (US) 1994-09-14 EP disclosed
EP-0559843-A1 SUBSTITUTED N-HETEROBICYCLIC HERBICIDES. DU PONT (US) 1993-09-15 EP disclosed
WO-1992009578-A1 SUBSTITUTED FUSED HETEROCYCLIC HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed
US-5110347-A Pre- and postemergence; quinoxaline derivatives E. I DU PONT DE NEMOURS AND COMPANY (US) 1992-05-05 US disclosed