SCHEMBL8649283

SCHEMBL8649283

CCCCOC(C)(OCCCC)P=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
TSHR P16473 3/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ATM Q13315 1/20 0.32
HPGD P15428 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8647984 0.74 CYP3A4 (0.34) CYP3A4TSHRADRB2ADRB1ADRB3
SCHEMBL8333134 0.74 TSHR (0.30) TSHR
SCHEMBL10011526 0.73 CYP3A4 (0.38) CYP3A4TSHRADRB2ADRB1ADRB3
SCHEMBL1357038 0.72
SCHEMBL8978426 0.72 CYP3A4 (0.40) CYP3A4TSHRADRB2ADRB1ADRB3
SCHEMBL10869033 0.71 ATM (0.37) CYP3A4TSHRADRB2ADRB1ADRB3
SCHEMBL10516 0.71
SCHEMBL2138838 0.71 ADRB2 (0.43) CYP3A4TSHRADRB2ADRB1ADRB3
SCHEMBL9648981 0.71 ADRB2 (0.43) CYP3A4TSHRADRB2ADRB1ADRB3
SCHEMBL10762136 0.71 TSHR (0.44) CYP3A4TSHRADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780379-A Process for the stereospecific polymerization of alpha-olefins and catalyst system which can be employed for this polymerization SOLVAY POLYOLEFINS EUROPE-BELGIUM (SOCIETE ANONYME) (BE) 1998-07-14 US disclosed
EP-0149558-B1 HIGH EFFICIENCY POLYMERIZATION CATALYST COMPONENT FOR USE IN THE POLYMERIZATION OF PROPYLENE AND HIGHER ALPHA-OLEFINS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1989-03-15 EP disclosed
US-4677088-A COORDINATION CATALYST ORGANOALUMINUM COMPOUND AND LEWIS BASE EXXON CHEMICAL PATENTS INC. (US) 1987-06-30 US disclosed
EP-0149558-A2 High efficiency polymerization catalyst component for use in the polymerization of propylene and higher alpha-olefins EXXON RESEARCH AND ENGINEERING COMPANY (US) 1985-07-24 EP disclosed
US-4525467-A MIXED ALUMINUM HYDROCARBYL-LEWIS BASE COORDINATION CATALYST EXXON RESEARCH & ENGINEERING CO. (US) 1985-06-25 US disclosed