SCHEMBL13839641

SCHEMBL13839641

c1ccc(C2OCCO2)c(OP(Oc2ccccc2C2OCCO2)Oc2cccc3c2Oc2c(cccc2OP(Oc2ccccc2C2OCCO2)Oc2ccccc2C2OCCO2)C3)c1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.32

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
SCHEMBL13839598 0.82 MEN1 (0.36) HTR2A
SCHEMBL13839632 0.77 MAOA (0.33)
SCHEMBL13839620 0.76 HRH1 (0.35)
SCHEMBL13839629 0.76 CA12 (0.41) HTR2A
SCHEMBL13839619 0.76 ALDH1A1 (0.35)
SCHEMBL13839626 0.74 HTR1B (0.35)
SCHEMBL13839472 0.73 NPC1 (0.30)
SCHEMBL13839499 0.73 ELANE (0.36)
SCHEMBL13839621 0.72 CYP1A2 (0.34)
SCHEMBL13839636 0.72 NISCH (0.33)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531682-B2 Method for making nitrile compounds from ethylenically unsaturated compounds RHODIA POLYAMIDE INTERMEDIATES (FR) 2009-05-12 US disclosed
US-7531682-B2 Method for making nitrile compounds from ethylenically unsaturated compounds RHODIA POLYAMIDE INTERMEDIATES (FR) 2009-05-12 US disclosed
US-7253298-B2 Hydrocyanating an unsaturated aliphatic nitrile, or a linear pentenenitrile in a liquid medium with hydrogen cyanide in the presence of a Nickel catalyst with an triaryl phosphite ligand; isomerization RHODIA POLYAMIDE INTERMEDIATES (FR) 2007-08-07 US disclosed