SCHEMBL4450608

SCHEMBL4450608

CC[N+](C)(C(C)C)C(C)C.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.35
CA1 P00915 5/20 0.35
MMP1 P03956 5/20 0.35
MMP2 P08253 5/20 0.35
MMP9 P14780 5/20 0.35
MMP8 P22894 5/20 0.35
MMP13 P45452 5/20 0.35

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
SCHEMBL7053425 0.98 CA2 (0.37) CA2CA1MMP1MMP2MMP9
SCHEMBL5522099 0.84 CA2 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL4450610 0.83 CA2 (0.36) CA2CA1MMP1MMP2MMP9
SCHEMBL236522 0.82 CA2 (0.39) CA2CA1MMP1MMP2MMP9
Trifluoromethanesulfonic Acid SCHEMBL6826396 0.82 KCNH2 (0.35)
SCHEMBL7058925 0.82 CA2 (0.37) CA2CA1MMP1MMP2MMP9
SCHEMBL236878 0.81 CA2 (0.41) CA2CA1MMP1MMP2MMP9
Tetrylammonium SCHEMBL727748 0.80 CA2 (0.41) CA2CA1MMP1MMP2MMP9
Tetramethylammonium Ion SCHEMBL218101 0.80 CA2 (0.46) CA2CA1MMP1MMP2MMP9
Tetrylammonium SCHEMBL703806 0.79 CA2 (0.42) CA2CA1MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1290106-B1 ANTISTATIC AGENT BAYER MATERIALSCIENCE AG (DE) 2009-08-12 EP claimed
US-7169333-B2 Antistatic agent BAYER AKTIENGESELLSCHAFT (DE) 2007-01-30 US claimed
US-20030031844-A1 Layer of perfluoroalkyl sulfonic ammonium acid salts, phosphonium acid salts and sulfonium acid salts and polycarbonate (co)polymers BAYER AKTIENGESELLSCHAFT (DE) 2003-02-13 US claimed
US-7169333-B2 Antistatic agent BAYER AKTIENGESELLSCHAFT (DE) 2007-01-30 US disclosed
US-20030139503-A1 Antistatic agent COVESTRO DEUTSCHLAND AG (DE) 2003-07-24 US disclosed
US-20030031844-A1 Layer of perfluoroalkyl sulfonic ammonium acid salts, phosphonium acid salts and sulfonium acid salts and polycarbonate (co)polymers BAYER AKTIENGESELLSCHAFT (DE) 2003-02-13 US disclosed