Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4738880

CC(C)(C)OC(=O)c1cn(Cc2ccccc2)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.47
▸ SCD O00767 1/20 0.45
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ KLKB1 P03952 1/20 0.41
▸ KDM4C Q9H3R0 2/20 0.41
▸ KDM5A P29375 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ CDK5R1 Q15078 1/20 0.41
▸ RIPK1 Q13546 3/20 0.39
▸ USP30 Q70CQ3 1/20 0.39
▸ CYP2E1 P05181 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL4735220 0.94 RBP4 (0.51) RBP4SCDCRHBPCRHR2KLKB1
Trifluoroacetic Acid SCHEMBL4737904 0.83 KDM4C (0.50) RBP4SCDKLKB1KDM4CKDM5A
SCHEMBL4737902 0.81 RBP4 (0.46) RBP4SCDKLKB1KDM4CKDM5A
SCHEMBL18367381 0.79 CDK5 (0.53) RBP4SCDKLKB1KDM4CKDM5A
SCHEMBL9248509 0.77 LMNA (0.60) RBP4KLKB1KDM4CKDM5AKDM5B
SCHEMBL16690901 0.75 RBP4 (0.54) RBP4KLKB1KDM4CKDM5AKDM5B
SCHEMBL3688462 0.74 KDM4C (0.57) RBP4KLKB1KDM4CKDM5AKDM5B
SCHEMBL4733881 0.74 GABRG2 (0.35) —
SCHEMBL23432082 0.74 KLKB1 (0.53) RBP4SCDKLKB1KDM4CKDM5A
Trifluoroacetic Acid SCHEMBL27586292 0.72 L3MBTL1 (0.47) CDK5CDK5R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 — — WO disclosed
Send feedback