SCHEMBL20548488

SCHEMBL20548488

C=C(CC(=O)CC)CC(=O)CC

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
ALDH1A1 P00352 2/20 0.37
FFAR3 O14843 1/20 0.37
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.30
PGK1 P00558 1/20 0.30
PGK2 P07205 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
SCHEMBL16212710 0.91
SCHEMBL93369 0.79
SCHEMBL6383200 0.79
SCHEMBL31498968 0.77 CES2 (0.43) TDP1ALDH1A1FFAR3TSHR
SCHEMBL7126393 0.77
SCHEMBL9015855 0.76 TDP1 (0.64) TDP1ALDH1A1FFAR3TSHRMEN1
SCHEMBL11440428 0.76 TDP1 (0.64) TDP1ALDH1A1FFAR3TSHRMEN1
SCHEMBL29010315 0.76 TDP1 (0.64) TDP1ALDH1A1FFAR3TSHRMEN1
SCHEMBL31328777 0.76 TDP1 (0.64) TDP1ALDH1A1FFAR3TSHRMEN1
SCHEMBL30586708 0.76 TDP1 (0.64) TDP1ALDH1A1FFAR3TSHRMEN1

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-3398991-B1 PRODUCTION METHOD FOR ETHYLENE/VINYL ALCOHOL COPOLYMER COMPOSITION MITSUBISHI CHEM CORP (JP) 2021-01-20 EP disclosed
US-10676605-B2 Ethylene-vinyl alcohol copolymer composition, pellets, multilayer structure, and production method for ethylene-vinyl alcohol copolymer composition MITSUBISHI CHEMICAL CORPORATION (JP) 2020-06-09 US disclosed
US-20180355163-A1 ETHYLENE-VINYL ALCOHOL COPOLYMER COMPOSITION, PELLETS, MULTILAYER STRUCTURE, AND PRODUCTION METHOD FOR ETHYLENE-VINYL ALCOHOL COPOLYMER COMPOSITION THE NIPPON SYNTHETIC CHEMICAL INDUSTRY CO., LTD. (JP) 2018-12-13 US disclosed
EP-3398991-A1 ETHYLENE/VINYL ALCOHOL COPOLYMER COMPOSITION, PELLETS, MULTILAYER STRUCTURE, AND PROCESS FOR PRODUCING ETHYLENE/VINYL ALCOHOL COPOLYMER COMPOSITION The Nippon Synthetic Chemical Industry Co., Ltd. (JP) 2018-11-07 EP disclosed