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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7548425

CCCO[C@H]1CC[C@H]([C@@H](C(=O)NO)N(Cc2ccncc2)S(=O)(=O)c2ccc(OC)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.46

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BMP1 P13497 12/20 0.46
▸ MMP2 P08253 6/20 0.45
▸ MMP9 P14780 6/20 0.45
▸ MMP8 P22894 4/20 0.44
▸ MMP13 P45452 4/20 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
Trifluoroacetic Acid SCHEMBL7548420 1.00 BMP1 (0.46) BMP1MMP2MMP9MMP8MMP13
SCHEMBL6852350 0.94 BMP1 (0.49) BMP1MMP2MMP9MMP8MMP13
SCHEMBL6056891 0.94 BMP1 (0.49) BMP1MMP2MMP9MMP8MMP13
SCHEMBL6056888 0.94 BMP1 (0.49) BMP1MMP2MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL7478395 0.94 BMP1 (0.48) BMP1MMP2MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL7478391 0.94 BMP1 (0.48) BMP1MMP2MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL7544592 0.91 BMP1 (0.47) BMP1MMP2MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL7544596 0.91 BMP1 (0.47) BMP1MMP2MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL7544227 0.89 BMP1 (0.45) BMP1MMP2MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL7426383 0.89 MMP2 (0.47) BMP1MMP2MMP9MMP8MMP13

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
EP-0873312-B1 ALPHA-SUBSTITUTED ARYLSULPHONAMIDO HYDROXAMIC ACIDS AS TNF-ALPHA AND MATRIX METALLOPROTEINASE INHIBITORS NOVARTIS AG (CH) 2002-06-12 — — EP disclosed