SCHEMBL18533728

SCHEMBL18533728

CC(O)C(O)CCC(O)C(C)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
TRPA1 O75762 1/20 0.38
TSHR P16473 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
SPHK1 Q9NYA1 1/20 0.32

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
SCHEMBL2251724 0.89 TSHR (0.39) ALDH1A1LMNATRPV1TRPA1TSHR
SCHEMBL3918593 0.89 TSHR (0.33) ALDH1A1LMNATRPV1TRPA1TSHR
SCHEMBL2984843 0.82
SCHEMBL2984846 0.82
SCHEMBL1301003 0.82
SCHEMBL14147255 0.82
SCHEMBL1302022 0.82
SCHEMBL1301102 0.82
SCHEMBL19125432 0.82
SCHEMBL290709 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3337794-B1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-07-21 EP disclosed
CN-105051181-B Recombinant microorganism having increased ability to produce 2, 3-butanediol, and method for producing 2, 3-butanediol using same GS 加德士 2018-12-04 CN disclosed
EP-3133066-A1 HYDROPHILIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES Merck Patent GmbH (DE) 2017-02-22 EP disclosed
CN-105990618-A Battery regulation with adsorbent regeneration 罗伯特·博世有限公司 2016-10-05 CN disclosed
CN-105531246-A Method for producing 1,3-butadiene and/or 3-buten-2-ol TORAY INDUSTRIES 2016-04-27 CN disclosed
CN-103320335-B Clostridium acetobutylicum and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2015-02-11 CN disclosed
CN-102317463-B Production of butanediol by anaerobic microbial fermentation LANZATECH NEW ZEALAND LTD 2014-12-03 CN disclosed
CN-103320335-A Clostridium acetobutylicum and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2013-09-25 CN disclosed
CN-103159907-A High-molecular-weight polyester plastic based on 2,3-butanediol and preparation method for same SHANGHAI GENIUS ADVANCED MAT 2013-06-19 CN disclosed