Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3655997

Cc1cc([N@+]2(N3CCCC3)CCC[C@@H]2C)ccc1C(N)=O.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.35
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
GPR6 P46095 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
YWHAG P61981 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TPSAB1 Q15661 1/20 0.30
KIT P10721 1/20 0.30
FLT3 P36888 1/20 0.30
PARP1 P09874 2/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL3653320 0.92 GFER (0.39) GFERGAATSHRPDE4DPDE7A
SCHEMBL3652192 0.92 GFER (0.39) GFERGAATSHRPDE4DPDE7A
Trifluoroacetic Acid SCHEMBL3473311 0.77 GFER (0.35) GFERGAAPDE4DPDE7AGPR6
Trifluoroacetic Acid SCHEMBL3654252 0.75 FLT3 (0.33) FLT3
SCHEMBL2425933 0.68 GFER (0.39) GFERGAAPDE4DPDE7AKDM4E
SCHEMBL3654536 0.66 FLT3 (0.34) PDE4DPDE7AFLT3PARP1
SCHEMBL3650931 0.66 FLT3 (0.34) PDE4DPDE7AFLT3PARP1
Trifluoroacetic Acid SCHEMBL2987959 0.65 HRH3 (0.57)
Trifluoroacetic Acid SCHEMBL5072107 0.61 NPC1 (0.45) TSHRKDM4EMAPTKMT2AHSD17B10
Trifluoroacetic Acid SCHEMBL1786800 0.61 NPC1 (0.45) TSHRKDM4EMAPTKMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212283-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP disclosed
EP-2212282-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP disclosed
WO-2009052062-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed
WO-2009052065-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed