SCHEMBL4119213

SCHEMBL4119213

C=CCOCC=C.OCC(CO)CO

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.39
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL10629192 0.85 ALDH1A1 (0.38) CA1CA2CA7CA9TSHR
SCHEMBL10633727 0.84 CA1 (0.50) CA1CA2CA7CA9TSHR
SCHEMBL811520 0.84 CA1 (0.50) CA1CA2CA7CA9TSHR
SCHEMBL116981 0.82 CA1 (0.35) CA1CA2CA7CA9ALDH1A1
Glycerin SCHEMBL93296 0.81 CA1 (0.52) CA1CA2CA7CA9TSHR
E968 SCHEMBL3294477 0.81 CA1 (0.46) CA1CA2CA7CA9TSHR
Glycerin SCHEMBL748344 0.81 CA1 (0.52) CA1CA2CA7CA9TSHR
Glycerin SCHEMBL9617071 0.81 CA1 (0.52) CA1CA2CA7CA9TSHR
Glycerin SCHEMBL525782 0.81 CA1 (0.52) CA1CA2CA7CA9TSHR
SCHEMBL9621258 0.80 TDP1 (0.38) CA1CA2CA7CA9ALDH1A1

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
CN-108349919-B Polyfunctional epoxy compound and curable composition containing the same 日产化学工业株式会社 2022-06-03 CN disclosed
CN-110662740-A Method for producing epoxy compound 日产化学株式会社 2020-01-07 CN disclosed
US-20090240004-A1 FUNCTIONALIZED POLYURETHANE RESIN, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2009-09-24 US disclosed
US-4725646-A SAPONIFICATION OF A COPOLYMERIZED CARBOXYLIC ACID VINYL ESTER CROSSLINKED BY A POLYUNSATURATED POLYETHER-CONTAINING COMPOUND JAPAN EXLAN COMPANY, LIMITED (JP) 1988-02-16 US disclosed