Trifluoromethylbenzene

Trifluoromethylbenzene

SCHEMBL175647

FC(F)(F)c1ccccc1.FC(F)(F)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 1.00
ALDH1A1 P00352 1/20 1.00
KIF11 P52732 4/20 0.68
TRPV6 Q9H1D0 2/20 0.54
CYP19A1 P11511 1/20 0.50
BACE1 P56817 1/20 0.48
PTPN1 P18031 1/20 0.48
MAPK1 P28482 1/20 0.48
KCNN4 O15554 1/20 0.47
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA5A P35218 1/20 0.46
CA9 Q16790 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45
ACP3 P15309 1/20 0.45
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43

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
Trifluoromethylbenzene SCHEMBL27760126 1.00 TSHR (1.00) TSHRALDH1A1KIF11TRPV6CYP19A1
Trifluoromethylbenzene SCHEMBL8692 1.00 TSHR (1.00) TSHRALDH1A1KIF11TRPV6CYP19A1
Trifluoromethylbenzene SCHEMBL31609597 0.97 TSHR (0.93) TSHRALDH1A1KIF11TRPV6CYP19A1
Trifluoromethylbenzene SCHEMBL31493124 0.97 TSHR (0.93) TSHRALDH1A1KIF11TRPV6CYP19A1
Trifluoromethylbenzene SCHEMBL31017025 0.97 TSHR (0.93) TSHRALDH1A1KIF11TRPV6CYP19A1
Trifluoromethylbenzene SCHEMBL7870246 0.97 TSHR (0.93) TSHRALDH1A1KIF11TRPV6CYP19A1
Trifluoromethylbenzene SCHEMBL14121761 0.97 TSHR (0.93) TSHRALDH1A1KIF11TRPV6CYP19A1
Trifluoromethylbenzene SCHEMBL14121438 0.97 TSHR (0.93) TSHRALDH1A1KIF11TRPV6CYP19A1
Trifluoromethylbenzene SCHEMBL22806921 0.97 TSHR (0.93) TSHRALDH1A1KIF11TRPV6CYP19A1
Trifluoromethylbenzene SCHEMBL9482280 0.97 TSHR (0.93) TSHRALDH1A1KIF11TRPV6CYP19A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120056249-A1 INTERLAYER FOR ELECTRONIC DEVICES PROMERUS LLC (US) 2012-03-08 US disclosed
US-20120056183-A1 GATE INSULATOR LAYER FOR ORGANIC ELECTRONIC DEVICES PROMERUS LLC (US) 2012-03-08 US disclosed