Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7604299

NCCCCCC(=O)NCOc1ccccc1C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.46
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
HDAC3 O15379 8/20 0.40
HDAC1 Q13547 8/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.40
PTK2B Q14289 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
HDAC4 P56524 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39

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
SCHEMBL8395675 0.93 MMP2 (0.48) MMP2KDM4EHTTHDAC3HDAC1
Hydrochloric Acid SCHEMBL7608434 0.92 MMP2 (0.47) MMP2KDM4EHTTHDAC3HDAC1
SCHEMBL6289473 0.76 MMP2 (0.39) MMP2HDAC3HDAC1HDAC4HDAC7
SCHEMBL7603561 0.76 CYP3A4 (0.52) HDAC3HDAC1ALDH1A1CA12CA1
Trifluoroacetic Acid SCHEMBL6289474 0.75 HMGB1 (0.48) MMP2HDAC3HDAC1KMT2AHDAC4
SCHEMBL19979736 0.74 ALDH1A1 (0.65) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL7632481 0.72 LTA4H (0.48) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL8983360 0.71 ALDH1A1 (0.69) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL28100288 0.69 KMT2A (0.69) KDM4EHTTALDH1A1KMT2APTK2B
SCHEMBL18495455 0.68 HDAC1 (0.63) HDAC3HDAC1ALDH1A1KMT2APTK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920413-B1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX INC (US) 2002-11-13 EP disclosed
EP-0920413-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX, INC. (US) 1999-06-09 EP disclosed
EP-0915832-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1999-05-19 EP disclosed
US-5877297-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-03-02 US disclosed
US-5872224-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1999-02-16 US disclosed
US-5869623-A Boronic compound complexing reagents and complexes SYSTEMIX (US) 1999-02-09 US disclosed
US-5859210-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1999-01-12 US disclosed
US-5847192-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1998-12-08 US disclosed
US-5837878-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-11-17 US disclosed
US-5777148-A Boronic compound complexing reagents and highly stable complexes PROLINX, INC. (US) 1998-07-07 US disclosed
US-5744627-A Boronic compound complexing reagents and complexes PROLINX, INC. (US) 1998-04-28 US disclosed
WO-1998005627-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND HIGHLY STABLE COMPLEXES PROLINX, INC. (US) 1998-02-12 WO disclosed
WO-1998005629-A1 BORONIC COMPOUND COMPLEXING REAGENTS AND COMPLEXES PROLINX, INC. (US) 1998-02-12 WO disclosed