SCHEMBL852463

SCHEMBL852463

COS(=O)(=O)[O-].C[N+]1(C)CCCC1

nearest known ligand 0.46

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL10408708 0.83
SCHEMBL29251960 0.81
Sulfuric Acid SCHEMBL2102338 0.81 CA12 (0.32)
SCHEMBL1980234 0.79
SCHEMBL29252827 0.79 CA12 (0.31)
SCHEMBL10408705 0.79
SCHEMBL2834486 0.78 KDM4E (0.36) TSHR
SCHEMBL3734802 0.78
SCHEMBL14118850 0.77 CA12 (0.30)
Sulfuric Acid SCHEMBL2102342 0.77 TSHR (0.40) TSHR

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
US-8449755-B2 Process for the anodic dehydrodimerization of substituted phenols BASF SE (DE) 2013-05-28 US disclosed
EP-2318569-B1 METHOD FOR ANODIC DEHYDRODIMERISATION OF SUBSTITUTED PHENOLS BASF SE (DE) 2012-03-28 EP disclosed
US-20110147228-A1 PROCESS FOR THE ANODIC DEHYDRODIMERIZATION OF SUBSTITUTED PHENOLS BASF SE (DE) 2011-06-23 US disclosed
EP-2318569-A1 METHOD FOR ANODIC DEHYDRODIMERISATION OF SUBSTITUTED ARYLALCOHOLS BASF SE (DE) 2011-05-11 EP disclosed
WO-2010023258-A1 METHOD FOR ANODIC DEHYDRODIMERISATION OF SUBSTITUTED ARYLALCOHOLS BASF SE (DE) 2010-03-04 WO disclosed