Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL9022807

O=C(O)C(F)(F)F.c1ccc(SCC2CCNC2)nc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
MEN1 O00255 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL9023400 0.83 SLC6A2 (0.41) CRBNKMT2ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4478098 0.79 CRBN (0.46) CRBNALDH1A1KMT2AHRH4HRH3
Hydrochloric Acid SCHEMBL4465656 0.78 CRBN (0.50) CRBNALDH1A1KMT2AMAPTPOLB
Trifluoroacetic Acid SCHEMBL15953250 0.73 DPP4 (0.39) HRH4HRH3CHRNB2CHRNA3CHRNA4
Trifluoroacetic Acid SCHEMBL29779083 0.73 HRH4 (0.43) HRH4HRH3
SCHEMBL797147 0.72 CRBN (0.54) CRBNALDH1A1KMT2AMAPTPOLB
Trifluoroacetic Acid SCHEMBL18497616 0.72 MEN1 (0.43) KMT2AHPGDSLC6A2SLC6A4SLC6A3
SCHEMBL14984291 0.71 PRKCQ (0.48) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL2571611 0.71 SLC6A2 (0.44) KMT2AMAPTHPGDSLC6A2SLC6A4
SCHEMBL9022811 0.70 POLB (0.42) CRBNALDH1A1KMT2AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0500835-B1 A NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVE DAE WOONG PHARMA (KR) 1996-12-27 EP disclosed
EP-0500835-A1 A NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVE. DAE WOONG PHARMA (KR) 1992-09-02 EP disclosed
WO-1992004342-A1 A NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVE DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 1992-03-19 WO disclosed