SCHEMBL16681925

SCHEMBL16681925

CCCCCCCCCC(=O)OC1COC2C(OC(=O)CCCC)COC12

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.58
NAAA Q02083 2/20 0.53
PRKCA P17252 6/20 0.52

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 1.00 BCHE (0.58) BCHENAAAPRKCA
SCHEMBL16681926 1.00 BCHE (0.58) BCHENAAAPRKCA
SCHEMBL2320650 1.00 BCHE (0.58) BCHENAAAPRKCA
SCHEMBL2320043 0.98 BCHE (0.60) BCHENAAAPRKCA
SCHEMBL20213354 0.98 BCHE (0.56) BCHENAAAPRKCA
SCHEMBL230317 0.98 BCHE (0.56) BCHENAAAPRKCA
SCHEMBL16752819 0.98 BCHE (0.56) BCHENAAAPRKCA
SCHEMBL15073362 0.98 BCHE (0.56) BCHENAAAPRKCA
SCHEMBL15073363 0.98 BCHE (0.56) BCHENAAAPRKCA
SCHEMBL16681731 0.98 BCHE (0.56) BCHENAAAPRKCA

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
US-10005894-B2 Plasticiser compositions comprising gelification accelerators based on ester(s) of 1,4 : 3,6-dianhydrohexitol having low molar weight ROQUETTE FRERES (FR) 2018-06-26 US disclosed
US-20150125613-A1 PLASTICISER COMPOSITIONS COMPRISING GELIFICATION ACCELERATORS BASED ON ESTER(S) OF 1,4 : 3,6-DIANHYDROHEXITOL HAVING LOW MOLAR WEIGHT ROQUETTE FRERES (FR) 2015-05-07 US disclosed