SCHEMBL11858705

SCHEMBL11858705

CCCCCC(C)(C)OOC1(OOC(C)(C)CCCCC)CCCCC1C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
CYP1A2 P05177 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
SCHEMBL11858716 0.78
SCHEMBL9625881 0.74
SCHEMBL1265958 0.74
SCHEMBL31422685 0.74
SCHEMBL11868458 0.72 CNR1 (0.41) CNR1CNR2
SCHEMBL3840591 0.70
SCHEMBL9404670 0.70
SCHEMBL3402326 0.70 CYP1A2 (0.32) CYP1A2
SCHEMBL524064 0.70
SCHEMBL524798 0.69

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
US-3950432-A Di- and tetra-(peroxy)ketals and acetals and improved curing and polymerizing process employing same PENNWALT CORPORATION (US) 1976-04-13 US claimed