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SCHEMBL10713643

SCHEMBL10713643

CCCCCC(C)(C)c1ccc([O-])c(Sc2cc(C(C)(C)CCCCC)ccc2[O-])c1.CCCCCC(C)(C)c1ccc([O-])c(Sc2cc(C(C)(C)CCCCC)ccc2[O-])c1.CC[Ni+].CC[Ni+].[Ni+2]

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 20/20 0.43
▸ CNR1 P21554 19/20 0.41

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
SCHEMBL1573512 0.96 CNR2 (0.46) CNR2CNR1
SCHEMBL1450306 0.96 CNR2 (0.46) CNR2CNR1
Potassium Ion SCHEMBL11470455 0.94 CNR2 (0.44) CNR2CNR1
SCHEMBL11477110 0.94 CNR2 (0.44) CNR2CNR1
Water SCHEMBL1450080 0.94 CNR2 (0.44) CNR2CNR1
SCHEMBL11539281 0.93 CNR2 (0.46) CNR2CNR1
SCHEMBL11003130 0.93 CNR2 (0.46) CNR2CNR1
Ethylamine SCHEMBL1450335 0.92 CNR2 (0.44) CNR2CNR1
SCHEMBL7702245 0.89 CNR2 (0.41) CNR2CNR1
Butylamine SCHEMBL340389 0.89 CNR2 (0.43) CNR2CNR1

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-0255097-A2 Process for improving resistance to deterioration when exposed to sterilizing radiation of polyolefin resins ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1988-02-03 — — EP disclosed