Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7480684

O=C(O)C(F)(F)F.O=C(O)CC(NC(=O)CCN1CCN(c2ccc3c(c2)CCNCC3)C1=O)c1ccccc1

nearest known ligand 0.49

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.49
ITGA2B P08514 17/20 0.49
ITGA2 P17301 2/20 0.42
ITGAV P06756 3/20 0.39
ITGB5 P18084 1/20 0.38
ITGB6 P18564 1/20 0.38
ITGB8 P26012 1/20 0.38

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 SCHEMBL7481102 0.92 ITGB3 (0.48) ITGB3ITGA2BITGA2ITGAV
Trifluoroacetic Acid SCHEMBL7476025 0.92 ITGB3 (0.53) ITGB3ITGA2BITGAV
Trifluoroacetic Acid SCHEMBL7475604 0.81 DRD2 (0.34) ITGB3ITGA2BITGA2
SCHEMBL7469768 0.77 MAPT (0.41) ITGB3ITGA2B
SCHEMBL7472620 0.77 ITGB3 (0.49) ITGB3ITGA2BITGA2ITGAV
SCHEMBL7481505 0.74 DRD3 (0.41)
SCHEMBL7478252 0.74 ITGB3 (0.47) ITGB3ITGA2BITGAV
SCHEMBL7474864 0.74 TMEM97 (0.39)
Hydrochloric Acid SCHEMBL8561390 0.73 HTR6 (0.45) ITGB3ITGA2BITGA2
SCHEMBL7468971 0.73 ITGB3 (0.42) ITGB3ITGA2BITGAV

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-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP disclosed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 WO disclosed