SCHEMBL2149658

SCHEMBL2149658

CCC1(OP(=O)(O)OC2(CC)CCCCC2)CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL28385557 0.89 SMN1; SMN2 (0.33) TSHRCYP2C19SMN1; SMN2
SCHEMBL2149854 0.88 TSHR (0.35) TSHRCYP2C19SMN1; SMN2
SCHEMBL28387888 0.86 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL27801822 0.86 TSHR (0.34) TSHRCYP2C19SMN1; SMN2
SCHEMBL28385556 0.84 SMN1; SMN2 (0.35) TSHRCYP2C19SMN1; SMN2
SCHEMBL27801805 0.84 TSHR (0.33) TSHRCYP2C19SMN1; SMN2
SCHEMBL2149852 0.83 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL2149609 0.82
SCHEMBL2149789 0.82 TSHR (0.30) TSHRCYP2C19
SCHEMBL28387885 0.82 SMN1; SMN2 (0.33) TSHRCYP2C19SMN1; SMN2

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