SCHEMBL4641733

SCHEMBL4641733

CCCCCCCCCCCCCCCCCCC(C)(C)[O]

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 6/20 0.52
FDPS P14324 10/20 0.48
SMPD1 P17405 2/20 0.48
LPAR1 Q92633 1/20 0.48
LPAR3 Q9UBY5 1/20 0.48
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
CES2 O00748 1/20 0.43

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
SCHEMBL2108110 1.00 GGPS1 (0.52) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL3623512 1.00 GGPS1 (0.52) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL4641686 1.00 GGPS1 (0.52) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL3621396 1.00 GGPS1 (0.52) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL2351499 1.00 GGPS1 (0.52) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL1930119 1.00 GGPS1 (0.52) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL3622507 1.00 GGPS1 (0.52) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL3618351 1.00 GGPS1 (0.52) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL3610800 1.00 GGPS1 (0.52) GGPS1FDPSSMPD1LPAR1LPAR3
SCHEMBL4647180 1.00 GGPS1 (0.52) GGPS1FDPSSMPD1LPAR1LPAR3

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-1443042-B1 HYBRID ONIUM SALT WAKO PURE CHEM IND LTD (JP) 2008-08-13 EP disclosed
US-7101918-B2 Hybrid type onium salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-05 US disclosed
US-20050020710-A1 Hybrid onium salt WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) 2005-01-27 US disclosed
EP-1443042-A1 HYBRID ONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2004-08-04 EP disclosed