Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9251606

C[C@@H]1CCN[C@@H](C(=O)NOCc2ccccc2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.41
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
MASP2 O00187 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
EPHX2 P34913 2/20 0.38
SLC6A2 P23975 1/20 0.38
F2 P00734 4/20 0.37
TSHR P16473 1/20 0.36
CPB1 P15086 1/20 0.36
KDM1A O60341 1/20 0.35

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
SCHEMBL8304205 0.93 NPC1 (0.43) CTSCHTR2CHTR2BMASP2NPC1
SCHEMBL8304207 0.93 NPC1 (0.43) CTSCHTR2CHTR2BMASP2NPC1
Trifluoroacetic Acid SCHEMBL3553696 0.90 HTR2C (0.46) CTSCHTR2CHTR2BNPC1RAB9A
Trifluoroacetic Acid SCHEMBL3553698 0.90 HTR2C (0.46) CTSCHTR2CHTR2BNPC1RAB9A
SCHEMBL7996223 0.75 TSHR (0.57) HTR2CHTR2BF2TSHRCPB1
SCHEMBL7994521 0.75 TSHR (0.57) HTR2CHTR2BF2TSHRCPB1
Hydrochloric Acid SCHEMBL3545786 0.75 HTR2C (0.60) CTSCHTR2CHTR2BNPC1RAB9A
SCHEMBL1576471 0.75 TSHR (0.57) HTR2CHTR2BF2TSHRCPB1
Hydrochloric Acid SCHEMBL3545785 0.75 HTR2C (0.60) CTSCHTR2CHTR2BNPC1RAB9A
Trifluoroacetic Acid SCHEMBL9278343 0.75 PRCP (0.42) CTSCHTR2CMASP2SLC6A2

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
US-5453430-A Anticoagulants SYNTHELABO (FR) 1995-09-26 US disclosed