SCHEMBL9514697

SCHEMBL9514697

CCP(=O)(CC)C(F)(F)CCCCCCBr

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.46
LPAR3 Q9UBY5 1/20 0.46
GGPS1 O95749 6/20 0.31
FDPS P14324 8/20 0.31

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
SCHEMBL9514939 0.80 LPAR1 (0.50) LPAR1LPAR3GGPS1FDPS
SCHEMBL9513449 0.78 LPAR1 (0.42) LPAR1LPAR3GGPS1
SCHEMBL1527593 0.76 PNP (0.42) LPAR1LPAR3
SCHEMBL9110451 0.75 LPAR1 (0.64) LPAR1LPAR3GGPS1FDPS
SCHEMBL1527573 0.73 PNP (0.40) LPAR1LPAR3
SCHEMBL9109027 0.72 LPAR1 (0.61) LPAR1LPAR3GGPS1FDPS
SCHEMBL9513432 0.71 FAAH (0.46) GGPS1FDPS
SCHEMBL15114777 0.71 LPAR1 (0.37) LPAR1LPAR3
SCHEMBL15114551 0.71 LPAR1 (0.37) LPAR1LPAR3
SCHEMBL1527439 0.67 PNP (0.40) LPAR1LPAR3

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
EP-0338887-B1 Phosphonoalkylpurine derivatives MERRELL DOW PHARMA (US) 1993-12-08 EP disclosed
US-4988680-A Phosphorylase inhibitors, immuno suppressants, parasiticides, antileukemia agents MERRELL DOW PHARMACEUTICALS INC. (US) 1991-01-29 US disclosed
EP-0338887-A1 Phosphonoalkylpurine derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1989-10-25 EP disclosed