SCHEMBL2149767

SCHEMBL2149767

CCCC1(OP(=O)(O)O)CCCC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.32
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 0.31
TSHR P16473 1/20 0.30
CYP2C19 P33261 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
SCHEMBL27993760 0.91 SMPD1 (0.31) SMPD1
SCHEMBL2149789 0.88 TSHR (0.30) TSHRCYP2C19
SCHEMBL2150185 0.87 SMPD1 (0.37) SMPD1LPAR3LPAR1LPAR2TSHR
SCHEMBL28388544 0.85 SMN1; SMN2 (0.31)
SCHEMBL2150533 0.85 SMPD1 (0.38) SMPD1LPAR3LPAR1LPAR2
SCHEMBL11030099 0.84 SMPD1 (0.42) SMPD1LPAR3LPAR1LPAR2
SCHEMBL2149759 0.83
SCHEMBL28384866 0.83 SMN1; SMN2 (0.33) TSHRCYP2C19
SCHEMBL2149854 0.82 TSHR (0.35) TSHRCYP2C19
SCHEMBL2150264 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2341091-B1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD FOR PREPARING THE OPTICAL MATERIAL MITSUI CHEMICALS INC (JP) 2013-12-04 EP disclosed
US-8434866-B2 Polymerizable composition for optical material, optical material, and method for preparing the optical material MITSUI CHEMICALS, INC. (JP) 2013-05-07 US disclosed
EP-2341091-A1 POLYMERIZABLE COMPOUND FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND OPTICAL MATERIAL MANUFACTURING METHOD Mitsui Chemicals, Inc. (JP) 2011-07-06 EP disclosed
US-20100075154-A1 POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD FOR PREPARING THE OPTICAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2010-03-25 US disclosed