Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7326885

CNC(=O)CCCCCN.O=C(O)C(F)(F)F

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PLG P00747 1/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
SLC6A2 P23975 1/20 0.45
RECQL P46063 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44

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
SCHEMBL8358519 0.87 PAOX (0.56) MEN1ALDH1A1PLGLMNATHRB
SCHEMBL21501453 0.87 PAOX (0.56) MEN1ALDH1A1PLGLMNATHRB
SCHEMBL21964905 0.87 PAOX (0.56) MEN1ALDH1A1PLGLMNATHRB
SCHEMBL2979960 0.87 PAOX (0.56) MEN1ALDH1A1PLGLMNATHRB
SCHEMBL19400311 0.87 PAOX (0.56) MEN1ALDH1A1PLGLMNATHRB
SCHEMBL14073780 0.87 PAOX (0.56) MEN1ALDH1A1PLGLMNATHRB
Hydrochloric Acid SCHEMBL8356936 0.85 PAOX (0.54) MEN1ALDH1A1PLGLMNATHRB
SCHEMBL1875583 0.84
Trifluoroacetic Acid SCHEMBL31657036 0.80 MEN1 (0.52) MEN1ALDH1A1PLGLMNATHRB
Trifluoroacetic Acid SCHEMBL31657055 0.80 MEN1 (0.52) MEN1ALDH1A1PLGLMNATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0489032-A1 HYDROXAMIC ACID BASED COLLAGENASE INHIBITORS. BRITISH BIO TECHNOLOGY (GB) 1992-06-10 EP disclosed
WO-1991002716-A2 HYDROXAMIC ACID BASED COLLAGENASE INHIBITORS BRITISH BIO-TECHNOLOGY LIMITED (GB) 1991-03-07 WO disclosed