Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7438822

C#C[C@@H](CNC(=O)[C@@H]1CCCN(C(=O)CCC2CNC2)C1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.60

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Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.60
ITGA2B P08514 20/20 0.60
F2R P25116 14/20 0.60

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 SCHEMBL7444264 0.95 ITGB3 (0.54) ITGB3ITGA2BF2R
Trifluoroacetic Acid SCHEMBL7498926 0.94 ITGB3 (0.70) ITGB3ITGA2BF2R
Trifluoroacetic Acid SCHEMBL7497596 0.94 ITGB3 (0.70) ITGB3ITGA2BF2R
Trifluoroacetic Acid SCHEMBL7506282 0.94 ITGB3 (0.70) ITGB3ITGA2BF2R
Trifluoroacetic Acid SCHEMBL7501443 0.94 ITGB3 (0.70) ITGB3ITGA2BF2R
SCHEMBL7502266 0.89 ITGB3 (0.76) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7498015 0.88 ITGB3 (0.75) ITGB3ITGA2BF2R
Trifluoroacetic Acid SCHEMBL7445073 0.83 ITGB3 (0.42) ITGB3ITGA2BF2R
Trifluoroacetic Acid SCHEMBL7438816 0.83 ITGB3 (0.62) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7505312 0.82 ITGB3 (0.66) ITGB3ITGA2BF2R

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-6384028-B1 TREATMENT OF CARDIOVASCULAR DISORDERS, ANTICOAGULANTS AND VALVE REPLACEMENT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US 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