Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3659583

CC1CCC[N+]1(c1ccc(C(N)=O)cc1)C1CCNC1.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.34
BCL9 O00512 2/20 0.33
CTNNB1 P35222 2/20 0.33
FLT3 P36888 1/20 0.32
KDM1A O60341 1/20 0.31
CHEK2 O96017 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
F10 P00742 1/20 0.31
F11 P03951 1/20 0.31
KLKB1 P03952 1/20 0.31

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
SCHEMBL3657524 0.92 PARP10 (0.39) PARP10BCL9CTNNB1FLT3KDM1A
Trifluoroacetic Acid SCHEMBL3654252 0.87 FLT3 (0.33) FLT3
Trifluoroacetic Acid SCHEMBL3650183 0.85 MAPK14 (0.33) BCL9CTNNB1KDM1ACHEK2
SCHEMBL2636793 0.84 BCL9 (0.33) BCL9CTNNB1
Trifluoroacetic Acid SCHEMBL3654963 0.84
Trifluoroacetic Acid SCHEMBL3659571 0.83 RAB9A (0.45)
Trifluoroacetic Acid SCHEMBL3653624 0.82 KDM4E (0.40)
SCHEMBL3655820 0.80 SLC6A2 (0.35) FLT3
Trifluoroacetic Acid SCHEMBL3653109 0.80 RAB9A (0.45)
Trifluoroacetic Acid SCHEMBL3650317 0.79 EPHX2 (0.43)

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-2215058-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-11 EP disclosed
EP-2212282-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-08-04 EP disclosed
WO-2009052065-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed
WO-2009052068-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-23 WO disclosed