SCHEMBL27768509

SCHEMBL27768509

[CH2]CCC(C#N)OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPV1 Q8NER1 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
SCHEMBL27747540 0.83
SCHEMBL7175617 0.82 TSHR (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL8965442 0.82 TSHR (0.36) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7183665 0.80 EPHX2 (0.41) TSHRTRPV1
SCHEMBL11661243 0.79 USP2 (0.36) TSHRMAPTSMN1; SMN2
SCHEMBL7699097 0.78 FAAH (0.40) MAPT
SCHEMBL1573329 0.78 FAAH (0.40) MAPT
SCHEMBL2111108 0.78 TSHR (0.30) TSHR
SCHEMBL7589913 0.77 TSHR (0.32) TSHR
Benzene SCHEMBL8964846 0.77 SLC6A3 (0.34) TSHRCHRM1

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-108137628-B Process for preparing phosphorus-containing cyanohydrin esters 拜耳农作物科学股份公司 2020-10-09 CN disclosed
CN-110386950-A A kind of synthetic method of glufosinate-ammonium ammonium salt 石家庄瑞凯化工有限公司 2019-10-29 CN disclosed
CN-106459254-A High-solid, low-viscosity urethane-linker-containing latex and method for producing same 阿科玛股份有限公司 2017-02-22 CN disclosed
CN-101475770-B Scrub and stain-resistant coating ROHM & HAAS 2013-07-17 CN disclosed
CN-101475770-A Scrub and stain-resistant coating ROHM & HAAS (US) 2009-07-08 CN disclosed