Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6300629

COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc4cc(C#N)ccc4c3)c(-c3ccsc3C(=O)O)c2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 15/20 0.44
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40

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 SCHEMBL6295008 0.94 PLA2G7 (0.46) PLA2G7ALDH1A1ATM
Trifluoroacetic Acid SCHEMBL6300704 0.92 PLA2G7 (0.47) PLA2G7ALDH1A1ATM
Trifluoroacetic Acid SCHEMBL6296006 0.90 BRD4 (0.43) PLA2G7ATM
SCHEMBL6300632 0.90 PLA2G7 (0.43) PLA2G7LMNAHPGDTSHR
SCHEMBL6295010 0.84 PLA2G7 (0.44) PLA2G7ALDH1A1ATM
SCHEMBL6300709 0.81 PLA2G7 (0.46) PLA2G7ATM
Trifluoroacetic Acid SCHEMBL7155223 0.81 PLA2G7 (0.43) PLA2G7LMNATSHR
SCHEMBL6296007 0.79 BRD4 (0.42) PLA2G7
Trifluoroacetic Acid SCHEMBL7150647 0.78 PLA2G7 (0.44) PLA2G7ALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL7153144 0.77 BRD4 (0.43) PLA2G7

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
US-6916837-B2 Amidino derivatives and anticoagulants and thrombosis therapeutic agents containing them EISAI CO., LTD. (JP) 2005-07-12 US disclosed
EP-1312602-A1 Amidino derivatives, and anticoagulants and thrombosis therapeutic agents containing them Eisai Co., Ltd. (JP) 2003-05-21 EP disclosed