SCHEMBL4445285

SCHEMBL4445285

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.38
CA1 P00915 5/20 0.38
MMP1 P03956 5/20 0.38
MMP2 P08253 5/20 0.38
MMP9 P14780 5/20 0.38
MMP8 P22894 5/20 0.38
MMP13 P45452 5/20 0.38
F2 P00734 4/20 0.35
PRSS1 P07477 4/20 0.35
PRSS2 P07478 4/20 0.35
PRSS3 P35030 4/20 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
SCHEMBL237807 0.98 CA2 (0.36) CA2CA1MMP1MMP2MMP9
Tetrapropylammonium SCHEMBL237574 0.93 CA2 (0.40) CA2CA1MMP1MMP2MMP9
Tetrapropylammonium SCHEMBL237987 0.91 CA2 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL11757947 0.90 CA2 (0.36) CA2CA1MMP1MMP2MMP9
Tetrylammonium SCHEMBL28621397 0.90 CA2 (0.42) CA2CA1MMP1MMP2MMP9
Tetrylammonium SCHEMBL703807 0.90 CA2 (0.42) CA2CA1MMP1MMP2MMP9
Tetrylammonium SCHEMBL124494 0.90 CA2 (0.42) CA2CA1MMP1MMP2MMP9
Tetrylammonium SCHEMBL1463963 0.88 CA2 (0.41) CA2CA1MMP1MMP2MMP9
SCHEMBL11754922 0.87 SLC22A1 (0.38) CA2CA1MMP1MMP2MMP9
SCHEMBL11759500 0.87 SLC22A1 (0.38) 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 5 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-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