Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8068010

O=C(O)C(F)(F)F.O=c1[nH]c2cc(C=Cc3cccnc3)ccc2c(=O)c2[nH]nnc12

nearest known ligand 0.43

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 15/20 0.43
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM4E B2RXH2 1/20 0.33
JUN P05412 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL8066788 0.92 PADI4 (0.40) PADI4IDO1TDO2NPC1RAB9A
Trifluoroacetic Acid SCHEMBL8057444 0.89 IP6K1 (0.35) PADI4
Trifluoroacetic Acid SCHEMBL8068251 0.85 IP6K1 (0.39) PADI4NPC1RAB9AMAPT
Trifluoroacetic Acid SCHEMBL8069127 0.83 TGFBR1 (0.38) NPC1RAB9AKDM4EMAPTNFKB1
Trifluoroacetic Acid SCHEMBL8067343 0.81 CYSLTR1 (0.39) NPC1RAB9AKDM4EMAPT
SCHEMBL8073308 0.79 IP6K1 (0.41) NPC1RAB9AMAPT
SCHEMBL8073292 0.79 IP6K1 (0.41) NPC1RAB9AMAPT
SCHEMBL8069058 0.76 IP6K1 (0.46) PADI4NPC1RAB9AKDM4EMAPT
SCHEMBL8069062 0.76 IP6K1 (0.46) PADI4NPC1RAB9AKDM4EMAPT
SCHEMBL8068015 0.76 PADI4 (0.39) PADI4IDO1TDO2NPC1RAB9A

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-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 EP disclosed