Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL8735009

NC(=O)c1ccccc1S(=O)(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.41
PRSS2 P07478 4/20 0.41
PRSS3 P35030 4/20 0.41
F2 P00734 3/20 0.41
BCAT2 O15382 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
METAP2 P50579 1/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
MMP1 P03956 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
SCHEMBL10499129 0.88 KDM4E (0.50) PRSS1PRSS2PRSS3F2BCAT2
SCHEMBL1498169 0.88 KDM4E (0.50) PRSS1PRSS2PRSS3F2BCAT2
SCHEMBL27271173 0.88 KDM4E (0.50) PRSS1PRSS2PRSS3F2BCAT2
SCHEMBL8688366 0.86 KDM4E (0.48) PRSS1PRSS2PRSS3F2BCAT2
Sulfuric Acid SCHEMBL11905560 0.86 KDM4E (0.48) PRSS1PRSS2PRSS3F2BCAT2
SCHEMBL11499388 0.86 KDM4E (0.48) PRSS1PRSS2PRSS3F2BCAT2
SCHEMBL8517044 0.86 KDM4E (0.48) PRSS1PRSS2PRSS3F2BCAT2
SCHEMBL6536729 0.79 CES1 (0.45) ALDH1A1KDM4ETSHRMEN1KMT2A
Acrylamide SCHEMBL29263992 0.78 KDM4E (0.41) PRSS1PRSS2PRSS3F2BCAT2
SCHEMBL18921204 0.77 ALDH1A1 (0.48) PRSS1PRSS2PRSS3F2BCAT2

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-0831823-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1998-10-21 EP disclosed
EP-0831823-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-04-01 EP disclosed
WO-1996040135-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-12-19 WO disclosed