SCHEMBL5081341

SCHEMBL5081341

C=C(C(=O)OC(C)C)C(C)O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ADRA1A P35348 1/20 0.38
PDE4D Q08499 1/20 0.38
TP53 P04637 1/20 0.35
HCAR2 Q8TDS4 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA12 O43570 3/20 0.30
CA1 P00915 3/20 0.30
CA2 P00918 3/20 0.30
CA7 P43166 3/20 0.30
CA9 Q16790 3/20 0.30
CA14 Q9ULX7 3/20 0.30
LMNA P02545 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8466467 0.85 TP53 (0.35) TSHRTP53MEN1KMT2A
SCHEMBL6109384 0.82 TSHR (0.43) TSHRADRA1APDE4DHCAR2GAA
SCHEMBL27845824 0.81 TP53 (0.32) TSHRTP53
SCHEMBL23045260 0.79 TSHR (0.37) TSHRADRA1APDE4DHCAR2GAA
SCHEMBL9746775 0.78 TSHR (0.40) TSHRADRA1APDE4DHCAR2GAA
SCHEMBL10705663 0.78 TSHR (0.40) TSHRADRA1APDE4DHCAR2GAA
SCHEMBL9746821 0.78 TSHR (0.40) TSHRADRA1APDE4DHCAR2GAA
SCHEMBL9747131 0.78 TSHR (0.40) TSHRADRA1APDE4DHCAR2GAA
SCHEMBL28667376 0.77
SCHEMBL3859257 0.77

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
CN-100554290-C Few foreign, be difficult to gelation contain lactonic ring polymkeric substance and uses thereof NIPPON CATALYTIC CHEM IND (JP) 2009-10-28 CN disclosed
EP-1752475-B1 Lactone ring-containing polymer having few foreign matters and not easily causing gelation, and its applications NIPPON CATALYTIC CHEM IND (JP) 2008-11-05 EP disclosed
US-20070037962-A1 Lactone ring-containing polymer having few foreign matters and not easily causing gelation, and its applications NIPPON SHOKUBAI CO., LTD. (JP) 2007-02-15 US disclosed
EP-1752475-A1 Lactone ring-containing polymer having few foreign matters and not easily causing gelation, and its applications NIPPON SHOKUBAI CO., LTD. (JP) 2007-02-14 EP disclosed
CN-1911972-A Lactone ring-containing polymer having few foreign matters and not easily causing gelation, and its applications NIPPON CATALYTIC CHEM IND (JP) 2007-02-14 CN disclosed