SCHEMBL4737506

SCHEMBL4737506

Cc1c(C)c(C)c(P(=O)(O)O)c(P(=O)(O)O)c1C

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL18334410 0.93 CA2 (0.35) CA2PGK1PGK2LMNATSHR
SCHEMBL20379757 0.73 CA2 (0.39) CA2
SCHEMBL7349943 0.73
SCHEMBL11803272 0.73 CA2 (0.30) CA2
SCHEMBL21802355 0.71
SCHEMBL8386869 0.71 PGK1 (0.46) PGK1PGK2LMNATSHR
SCHEMBL12606477 0.69 TAS1R3 (0.31)
SCHEMBL1552134 0.69 TSHR (0.40) CA2PGK1PGK2LMNATSHR
SCHEMBL31031192 0.69 TSHR (0.40) CA2PGK1PGK2LMNATSHR
Hexamethylbenzene SCHEMBL31169615 0.67 FDPS (0.67) CA2PGK1PGK2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008080833-A1 METHOD OF PREPARATION OF A PRIMARY PHOSPHINE RHODIA OPERATIONS (FR) 2008-07-10 WO claimed
WO-2008080833-A1 METHOD OF PREPARATION OF A PRIMARY PHOSPHINE RHODIA OPERATIONS (FR) 2008-07-10 WO disclosed