SCHEMBL7866461

SCHEMBL7866461

CCCCC(CC)CP(=O)(O)O.[Mo]

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.54
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CA2 P00918 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
LAP3 P28838 2/20 0.44
TSHR P16473 2/20 0.43
ATM Q13315 1/20 0.42
LPAR3 Q9UBY5 3/20 0.40
LPAR2 Q9HBW0 1/20 0.40

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
SCHEMBL665561 0.98 FDPS (0.56) FDPSALDH1A1CYP3A4L3MBTL1CA2
SCHEMBL21385015 0.96 FDPS (0.54) FDPSALDH1A1CYP3A4L3MBTL1CA2
SCHEMBL2701703 0.96 FDPS (0.54) FDPSALDH1A1CYP3A4L3MBTL1CA2
Hydrochloric Acid SCHEMBL2149848 0.96 FDPS (0.54) FDPSALDH1A1CYP3A4L3MBTL1CA2
SCHEMBL865495 0.96 FDPS (0.54) FDPSALDH1A1CYP3A4L3MBTL1CA2
SCHEMBL20565552 0.96 FDPS (0.54) FDPSALDH1A1CYP3A4L3MBTL1CA2
Ethylene SCHEMBL28059073 0.94 FDPS (0.52) FDPSALDH1A1CYP3A4L3MBTL1CA2
Ammonia Solution, Strong SCHEMBL27689009 0.90 FDPS (0.48) FDPSALDH1A1CYP3A4L3MBTL1CA2
SCHEMBL28413742 0.89 FDPS (0.47) FDPSALDH1A1CYP3A4L3MBTL1CA2
SCHEMBL27288350 0.88 FDPS (0.57) FDPSLAP3LPAR3LPAR2

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
US-20120252979-A1 Process for Producing Blends of Syndiotactic, 1,2-Polybutadiene and Rubbery Elastomers RADEMACHER CHRISTINE (US) 2012-10-04 US disclosed
US-6303692-B1 PROVIDING MIXTURE OF RUBBER CEMENT AND 1,3-BUTADIENE; POLYMERIZING INTO SYNDIOTACTIC 1,2-POLYBUTADIENE BY USING CATALYST FORMULATION COMPRISING MOLYBDENUM COMPOUND, HYDROGEN PHOSPHITE COMPOUND AND ORGANOALUMINUM COMPOUND BRIDGESTONE CORPORATION (JP) 2001-10-16 US disclosed