SCHEMBL353515

SCHEMBL353515

C=CCOCC(=C)C(=O)OCC(Br)Br

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 1/20 0.33
TSHR P16473 1/20 0.31
CA9 Q16790 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
SCHEMBL351176 0.83 TDP1 (0.34) TDP1CA1CA2CA7TSHR
SCHEMBL352661 0.83 TDP1 (0.34) TDP1CA1CA2CA7TSHR
SCHEMBL352550 0.82 TDP1 (0.40) TDP1CA1CA2CA7TSHR
SCHEMBL25252748 0.81 CA1 (0.39) TDP1CA1CA2CA7CA9
SCHEMBL19837894 0.81 TDP1 (0.39) TDP1CA1CA2CA7TSHR
SCHEMBL351692 0.78 TDP1 (0.35) TDP1
SCHEMBL350219 0.77 ALDH1A1 (0.40) TDP1TSHR
SCHEMBL353053 0.77 TSHR (0.56) TDP1CA2TSHR
SCHEMBL352013 0.76 CYP3A4 (0.40) CA1CA2TSHRCA9
SCHEMBL352136 0.76 TSHR (0.42) TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415751-B1 ALPHA-(UNSATURATED ALKOXYALKYL) ACRYLATE COMPOSITION AND PROCESS FOR PRODUCTION THEREOF NIPPON CATALYTIC CHEM IND (JP) 2014-11-26 EP disclosed
US-8796492-B2 α-(unsaturated alkoxyalkyl) acrylate composition and process for production thereof NIPPON SHOKUBAI CO., LTD. (JP) 2014-08-05 US disclosed
EP-2415751-A1 ALPHA-(UNSATURATED ALKOXYALKYL) ACRYLATE COMPOSITION AND PROCESS FOR PRODUCTION THEREOF Nippon Shokubai Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120016095-A1 a-(UNSATURATED ALKOXYALKYL) ACRYLATE COMPOSITION AND PROCESS FOR PRODUCTION THEREOF NIPPON SHOKUBAI CO., LTD. (JP) 2012-01-19 US disclosed