SCHEMBL28814517

SCHEMBL28814517

CCCCCC(C)(C(O)O)S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
FDPS P14324 11/20 0.35
GGPS1 O95749 7/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
SMPD1 P17405 2/20 0.33
CES2 O00748 1/20 0.33
LPAR1 Q92633 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33

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
SCHEMBL27892784 0.98 GGPS1 (0.38) TP53FDPSGGPS1CA1CA2
Ammonia Solution, Strong SCHEMBL27630447 0.81 TP53 (0.40) TP53FDPSGGPS1CA1CA2
SCHEMBL5283329 0.77 TP53 (0.41) TP53FDPSGGPS1CA2SMPD1
SCHEMBL2206295 0.77 TP53 (0.41) TP53FDPSGGPS1CA2SMPD1
SCHEMBL496881 0.74 FDPS (0.40) TP53FDPSGGPS1CA1CA2
SCHEMBL23475303 0.72 GGPS1 (0.43) FDPSGGPS1CA1CA2SMPD1
SCHEMBL6741002 0.72 GGPS1 (0.43) FDPSGGPS1CA1CA2SMPD1
SCHEMBL5452230 0.72 GGPS1 (0.43) FDPSGGPS1CA1CA2SMPD1
SCHEMBL6024339 0.72 GGPS1 (0.43) FDPSGGPS1CA1CA2SMPD1
SCHEMBL14445011 0.72 GGPS1 (0.43) FDPSGGPS1CA1CA2SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104203999-B Vinyl resin and resin composition 三洋化成工业株式会社 2016-10-12 CN disclosed
CN-104203999-A Vinyl resin and resin composition SANYO CHEMICAL INDUSTRY LTD 2014-12-10 CN disclosed