Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7445073

C#C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)/C=C/CC2CNC2)C1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.42

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.42
ITGA2B P08514 17/20 0.42
F2R P25116 10/20 0.42
KMT2A Q03164 1/20 0.34
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL7441474 0.89 ITGB3 (0.43) ITGB3ITGA2BF2RKMT2AKDM4E
Trifluoroacetic Acid SCHEMBL7442915 0.88 ITGB3 (0.42) ITGB3ITGA2BF2RKMT2ADPP4
Trifluoroacetic Acid SCHEMBL7445066 0.83 ITGB3 (0.45) ITGB3ITGA2BF2R
Trifluoroacetic Acid SCHEMBL7438822 0.83 ITGB3 (0.60) ITGB3ITGA2BF2R
Trifluoroacetic Acid SCHEMBL7444264 0.81 ITGB3 (0.54) ITGB3ITGA2BF2R
Trifluoroacetic Acid SCHEMBL7498926 0.79 ITGB3 (0.70) ITGB3ITGA2BF2R
Trifluoroacetic Acid SCHEMBL7501443 0.79 ITGB3 (0.70) ITGB3ITGA2BF2R
Trifluoroacetic Acid SCHEMBL7506282 0.79 ITGB3 (0.70) ITGB3ITGA2BF2R
Trifluoroacetic Acid SCHEMBL7497596 0.79 ITGB3 (0.70) ITGB3ITGA2BF2R
SCHEMBL7443663 0.78 ITGB3 (0.51) ITGB3ITGA2BF2RKMT2A

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
US-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-0869944-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO disclosed