SCHEMBL9300007

SCHEMBL9300007

C=COC(CCC)OC(=O)OC(CCC)OC=C

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.35
CTSK P43235 2/20 0.33
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 2/20 0.31
NFKB1 P19838 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL429578 0.92 CA1 (0.35) TSHRCTSKCHRM1AKR1A1CHRM3
SCHEMBL9446372 0.89 ALDH1A1 (0.40) TSHRCTSKHPGD
SCHEMBL3884180 0.86 TSHR (0.34) TSHRCTSKCHRM1AKR1A1CHRM3
SCHEMBL75914 0.85 TSHR (0.31) TSHR
SCHEMBL8962107 0.85 TSHR (0.44) TSHRCTSKCHRM1AKR1A1CHRM3
SCHEMBL27705392 0.82 ALDH1A1 (0.38) TSHRCTSK
SCHEMBL285037 0.80 CHRM1 (0.32) TSHRCTSKCHRM1AKR1A1CHRM3
SCHEMBL4640184 0.79 TAS1R3 (0.40) TSHRCHRM1SLC6A3TDP1CYP3A4
SCHEMBL2193181 0.79 ALDH1A1 (0.37) TSHRCHRM1AKR1A1CHRM3HTR2A
SCHEMBL12965759 0.79 PRKCA (0.50) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5364691-A Alk-1-enyloxy carbonates ISP INVESTMENTS INC. (US) 1994-11-15 US disclosed
US-5358978-A Protective coatings and reactant diluents; wear resistance; solvent, acid and alkali resistance; photoresists ISP INVESTMENTS INC. (US) 1994-10-25 US disclosed
US-5276174-A Alk-1-enyloxy carbonates ISP INVESTMENTS INC. (US) 1994-01-04 US disclosed
US-5254710-A Radiation curable ISP INVESTMENTS INC. (US) 1993-10-19 US disclosed
EP-0514482-A4 VINYL ETHER COMPOUNDS 1993-04-21 EP disclosed
EP-0514482-A1 VINYL ETHER COMPOUNDS ISP INVESTMENTS INC. (US) 1992-11-25 EP disclosed
US-5159098-A Alk-1-enyloxy carbamates ISP INVESTMENTS INC. (US) 1992-10-27 US disclosed
WO-1991013052-A1 VINYL ETHER COMPOUNDS ISP INVESTMENTS INC. (US) 1991-09-05 WO disclosed