SCHEMBL6350340

SCHEMBL6350340

CCCCOCCC(CCOCCCC)(COCCCC)OP(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.45
TSHR P16473 2/20 0.42
CYP3A4 P08684 2/20 0.42
LPAR3 Q9UBY5 5/20 0.38
LPAR1 Q92633 4/20 0.38
LPAR2 Q9HBW0 2/20 0.38
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LPAR5 Q9H1C0 1/20 0.36
FDPS P14324 3/20 0.34
GGPS1 O95749 2/20 0.34
CES1 P23141 1/20 0.34

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
SCHEMBL29093882 0.89 SMPD1 (0.37) SMPD1TSHRCYP3A4LPAR3LPAR1
SCHEMBL3899920 0.78 TSHR (0.47) SMPD1TSHRCYP3A4LPAR3LPAR1
SCHEMBL37204 0.75 SMPD1 (0.42) SMPD1TSHRCYP3A4LPAR3LPAR1
SCHEMBL28653187 0.74 SMPD1 (0.57) SMPD1LPAR3LPAR1LPAR2FDPS
SCHEMBL3030780 0.74 SMPD1 (0.44) SMPD1TSHRCYP3A4LPAR3LPAR1
Phosphoric Acid SCHEMBL27986970 0.73 SMPD1 (0.41) SMPD1TSHRCYP3A4LPAR3LPAR1
Phosphoric Acid SCHEMBL340015 0.73 TSHR (0.62) TSHRCYP3A4LPAR3LPAR1LPAR2
Phosphoric Acid SCHEMBL28753550 0.71 TSHR (0.60) TSHRCYP3A4LPAR3LPAR1LPAR2
Phosphoric Acid SCHEMBL26105569 0.71 TSHR (0.60) TSHRCYP3A4LPAR3LPAR1LPAR2
SCHEMBL2045348 0.71 LPAR3 (0.40) SMPD1TSHRCYP3A4LPAR3LPAR1

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
EP-1038900-B1 Double metal cyanide catalysts for the production of polyetherpolyols BAYER MATERIALSCIENCE AG (DE) 2004-07-14 EP claimed
US-6468939-B1 ESTERS OF PHOSPHORIC ACID, PHOSPHOROUS ACID, PHOSPHONIC ACID, PHOSPHONOUS ACID, PHOSPHINIC ACID OR PHOSPHINOUS ACID; COMPLEXING LIGANDS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-22 US claimed
EP-3387035-B1 POLYURETHANE FOAMS BASED ON POLYETHER CARBONATE POLYOLS COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2022-05-04 EP disclosed
US-6919293-B1 Double metal cyanide catalysts for producing polyether polyols BAYER AKTIENGESELLSCHAFT (DE) 2005-07-19 US disclosed
US-6468939-B1 ESTERS OF PHOSPHORIC ACID, PHOSPHOROUS ACID, PHOSPHONIC ACID, PHOSPHONOUS ACID, PHOSPHINIC ACID OR PHOSPHINOUS ACID; COMPLEXING LIGANDS BAYER AKTIENGESELLSCHAFT (DE) 2002-10-22 US disclosed