Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7952820

O=C(NO)C1(CS(=O)(=O)c2ccc(OCc3ccnc4ccccc34)cc2)CCOCC1.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 10/20 0.54
MMP13 P45452 8/20 0.51
MMP1 P03956 5/20 0.51
MMP2 P08253 4/20 0.51
MMP9 P14780 2/20 0.51
ABCB11 O95342 1/20 0.51
MMP3 P08254 1/20 0.51
MMP7 P09237 1/20 0.51
MMP10 P09238 1/20 0.51
MMP8 P22894 1/20 0.51
MMP14 P50281 1/20 0.51
ADAMTS4 O75173 1/20 0.44

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
SCHEMBL7353427 0.94 ADAM17 (0.57) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL7356665 0.88 ADAM17 (0.56) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL7952823 0.88 ADAM17 (0.48) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL7362510 0.84 ADAM17 (0.58) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL7354231 0.81 ADAM17 (0.62) ADAM17MMP13MMP1MMP2MMP9
Trifluoroacetic Acid SCHEMBL7942839 0.79 ADAM17 (0.54) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL7354772 0.78 ADAM17 (0.58) ADAM17MMP13MMP1MMP2MMP9
SCHEMBL7355311 0.78 MMP13 (0.54) ADAM17MMP13MMP1MMP2MMP9
Trifluoroacetic Acid SCHEMBL6789520 0.76 ADAM17 (0.91) ADAM17MMP13MMP2MMP9
SCHEMBL7306093 0.76 MMP1 (0.81) ADAM17MMP13MMP1MMP2MMP9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268379-B1 Substituted aryl hydroxamic acids as metalloproteinase inhibitors DUPONT PHARMACEUTICALS COMPANY 2001-07-31 US disclosed