SCHEMBL28857705

SCHEMBL28857705

CCCCCCP(=O)(CC)OCC.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 5/20 0.45
LPAR2 Q9HBW0 2/20 0.45
TRPM8 Q7Z2W7 8/20 0.44
FAAH O00519 1/20 0.44
LPAR1 Q92633 2/20 0.41

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
SCHEMBL27845149 0.98 LPAR3 (0.46) LPAR3LPAR2TRPM8FAAHLPAR1
SCHEMBL27487572 0.98 LPAR3 (0.46) LPAR3LPAR2TRPM8FAAHLPAR1
SCHEMBL27826147 0.98 LPAR3 (0.46) LPAR3LPAR2TRPM8FAAHLPAR1
SCHEMBL28228017 0.96 TRPM8 (0.43) LPAR3LPAR2TRPM8FAAH
SCHEMBL27845148 0.89 LPAR3 (0.50) LPAR3LPAR2TRPM8FAAHLPAR1
SCHEMBL575784 0.89 TSHR (0.44) LPAR3LPAR2TRPM8LPAR1
SCHEMBL1295942 0.89 LPAR3 (0.50) LPAR3LPAR2TRPM8FAAHLPAR1
SCHEMBL27845160 0.83 CYP3A4 (0.52) LPAR3LPAR2TRPM8FAAHLPAR1
SCHEMBL28282969 0.83 LPAR3 (0.55) LPAR3LPAR2TRPM8FAAHLPAR1
SCHEMBL1295944 0.83 LPAR3 (0.55) LPAR3LPAR2TRPM8FAAHLPAR1

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
CN-115028660-A Method for synthesizing 2-ethylhexyl phosphonic acid di (2-ethyl) hexyl ester by taking 2-ethylhexyl sodium alkoxide as alkali 三门峡中达化工有限公司 2022-09-09 CN disclosed