Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7415404

N=C(N)NOCCCOc1ccc(C[C@H](NS(=O)(=O)c2ccc(Cl)c(Cl)c2)C(=O)O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.46
ITGA2B P08514 11/20 0.46
RAB9A P51151 1/20 0.43
F2 P00734 4/20 0.43
TMPRSS6 Q8IU80 4/20 0.43
ITGAV P06756 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGA5 P08648 1/20 0.42
MMP7 P09237 1/20 0.42

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
SCHEMBL7419820 0.96 ITGB3 (0.48) ITGB3ITGA2BRAB9AL3MBTL1ITGB1
Trifluoroacetic Acid SCHEMBL7416081 0.93 POLB (0.47) ITGB3ITGA2BF2TMPRSS6ITGAV
Trifluoroacetic Acid SCHEMBL7414429 0.91 MMP2 (0.52) ITGB3ITGA2BF2TMPRSS6L3MBTL1
Trifluoroacetic Acid SCHEMBL7414956 0.90 BCL2 (0.49) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7416599 0.90 ITGB3 (0.47) ITGB3ITGA2BF2TMPRSS6ITGAV
SCHEMBL7415413 0.89 TMPRSS6 (0.38) ITGB3ITGA2BRAB9AF2TMPRSS6
Trifluoroacetic Acid SCHEMBL7415002 0.89 ITGB3 (0.49) ITGB3ITGA2BF2TMPRSS6ITGAV
Trifluoroacetic Acid SCHEMBL7412715 0.89 ITGB3 (0.47) ITGB3ITGA2BF2TMPRSS6ITGAV
Trifluoroacetic Acid SCHEMBL7414224 0.89 ITGB3 (0.47) ITGB3ITGA2BF2TMPRSS6ITGAV
Trifluoroacetic Acid SCHEMBL7417124 0.88 ITGB3 (0.51) ITGB3ITGA2BF2TMPRSS6ITGAV

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-6344484-B1 TREATMENT OF TUMOR GROWTH, METASTASIS, OSTEOPOROSIS, RESTENOSIS, INFLAMMATION, MACULAR DEGENERATION, DIABETIC RETINOPATHY, AND RHEUMATOID ARTHRITIS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-02-05 US disclosed
EP-1159262-A1 TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-12-05 EP disclosed
WO-2000047552-A1 TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed