Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7413459

N=C(N)NOCCCOc1ccc(C[C@H](NS(=O)(=O)c2ccc(I)cc2)C(=O)O)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.50
ITGA2B P08514 7/20 0.50
F2 P00734 2/20 0.47
TMPRSS6 Q8IU80 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MMP2 P08253 6/20 0.45
MMP9 P14780 5/20 0.45
ADAMTS4 O75173 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.42
MAPT P10636 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
SCHEMBL7410503 0.95 ITGB3 (0.52) ITGB3ITGA2BL3MBTL1MMP2MMP9
Trifluoroacetic Acid SCHEMBL7415231 0.92 ITGB3 (0.52) ITGB3ITGA2BF2TMPRSS6L3MBTL1
Trifluoroacetic Acid SCHEMBL7699204 0.92 ITGB3 (0.51) ITGB3ITGA2BF2TMPRSS6L3MBTL1
Trifluoroacetic Acid SCHEMBL7417586 0.92 ITGB3 (0.59) ITGB3ITGA2BF2TMPRSS6MMP2
Trifluoroacetic Acid SCHEMBL7414429 0.91 MMP2 (0.52) ITGB3ITGA2BF2TMPRSS6L3MBTL1
Trifluoroacetic Acid SCHEMBL7412625 0.91 MMP2 (0.52) ITGB3ITGA2BF2TMPRSS6L3MBTL1
Trifluoroacetic Acid SCHEMBL7408393 0.91 MMP2 (0.56) ITGB3ITGA2BF2TMPRSS6L3MBTL1
Trifluoroacetic Acid SCHEMBL7695353 0.91 ITGB3 (0.50) ITGB3ITGA2BF2TMPRSS6L3MBTL1
Trifluoroacetic Acid SCHEMBL7694788 0.91 MMP2 (0.56) ITGB3ITGA2BF2TMPRSS6L3MBTL1
Trifluoroacetic Acid SCHEMBL7416567 0.91 ITGB3 (0.55) ITGB3ITGA2BF2TMPRSS6L3MBTL1

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