SCHEMBL2320043

SCHEMBL2320043

CCCCCC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC(=O)CCCC

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.60
PRKCA P17252 6/20 0.50
NAAA Q02083 2/20 0.50

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
SCHEMBL16681920 0.98 BCHE (0.58) BCHEPRKCANAAA
SCHEMBL16681926 0.98 BCHE (0.58) BCHEPRKCANAAA
SCHEMBL16681925 0.98 BCHE (0.58) BCHEPRKCANAAA
SCHEMBL2320650 0.98 BCHE (0.58) BCHEPRKCANAAA
SCHEMBL16681103 0.98 BCHE (0.58) BCHEPRKCANAAA
SCHEMBL229656 0.98 BCHE (0.58) BCHEPRKCANAAA
SCHEMBL16752819 0.97 BCHE (0.56) BCHEPRKCANAAA
SCHEMBL230317 0.97 BCHE (0.56) BCHEPRKCANAAA
SCHEMBL16681731 0.97 BCHE (0.56) BCHEPRKCANAAA
SCHEMBL20213354 0.97 BCHE (0.56) BCHEPRKCANAAA

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
EP-2531565-A1 DIANHYDROHEXITOL DIESTER COALESCING AGENT Elementis Specialties, Inc. (US) 2012-12-12 EP disclosed
WO-2011097443-A1 DIANHYDROHEXITOL DIESTER COALESCING AGENT ELEMENTIS SPECIALTIES,INC (US) 2011-08-11 WO disclosed