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Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3755796

COC(=O)c1cc(-c2nnn(CC3CCNCC3)n2)cc(C)n1.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 20/20 0.53
▸ SLC22A8 Q8TCC7 1/20 0.51
▸ MMP3 P08254 1/20 0.51

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
SCHEMBL8075992 0.94 MMP13 (0.57) MMP13SLC22A8MMP3
SCHEMBL3798394 0.85 MMP13 (0.68) MMP13SLC22A8MMP3
SCHEMBL3798392 0.85 MMP13 (0.68) MMP13SLC22A8MMP3
SCHEMBL8068202 0.83 MMP13 (0.66) MMP13SLC22A8MMP3
SCHEMBL3808963 0.83 MMP13 (0.66) MMP13SLC22A8MMP3
SCHEMBL3808968 0.83 MMP13 (0.66) MMP13SLC22A8MMP3
SCHEMBL3814040 0.82 MMP13 (0.57) MMP13SLC22A8MMP3
SCHEMBL3809990 0.82 MMP13 (0.57) MMP13SLC22A8MMP3
SCHEMBL3688004 0.82 MMP13 (0.56) MMP13SLC22A8MMP3
SCHEMBL3750004 0.81 MMP13 (0.60) MMP13SLC22A8MMP3

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
CN-101815710-A Pyrimidine and pyridine derivatives, their pharmaceutical use and compositions PFIZER 2010-08-25 — — CN disclosed
EP-2185537-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS Pfizer Inc. (US) 2010-05-19 — — EP disclosed
WO-2009016498-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE AND COMPOSITIONS PFIZER INC. (US) 2009-02-05 — — WO disclosed