SCHEMBL10779019

SCHEMBL10779019

CCCCSC(C)CC=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
FAAH O00519 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
TRPA1 O75762 1/20 0.31
DDAH1 O94760 1/20 0.31
GAPDH P04406 1/20 0.31
MAPT P10636 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
SCHEMBL10506256 0.92 EPHX1 (0.47) EPHX1TSHRSMN1; SMN2ADH1BADH1C
SCHEMBL29191466 0.92 EPHX1 (0.47) EPHX1TSHRSMN1; SMN2ADH1BADH1C
SCHEMBL21313329 0.92 EPHX1 (0.47) EPHX1TSHRSMN1; SMN2ADH1BADH1C
SCHEMBL21313310 0.92 EPHX1 (0.47) EPHX1TSHRSMN1; SMN2ADH1BADH1C
SCHEMBL21313339 0.92 EPHX1 (0.47) EPHX1TSHRSMN1; SMN2ADH1BADH1C
SCHEMBL10778066 0.86
SCHEMBL2927808 0.77
SCHEMBL7001678 0.75
SCHEMBL7763823 0.74
SCHEMBL29191465 0.74 TSHR (0.48) EPHX1TSHRSMN1; SMN2ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117897423-A Stabilized poly (alkylaldehydes) 博伊西州立大学 2024-04-16 CN claimed
CN-117897423-A Stabilized poly (alkylaldehydes) 博伊西州立大学 2024-04-16 CN disclosed
CN-116947718-A Preparation method of high-quality 3-ethylthio butyraldehyde 益丰新材料股份有限公司 2023-10-27 CN disclosed
EP-0096153-B1 STABILIZATION OF ALDEHYDES PENNWALT CORPORATION (US) 1987-04-08 EP disclosed
US-4546205-A Stabilization of aldehydes PENNWALT CORPORATION (US) 1985-10-08 US disclosed
EP-0096153-A2 Stabilization of aldehydes PENNWALT CORPORATION (US) 1983-12-21 EP disclosed
US-4355184-A BY REACTING AN ALDEHYDE WITH AN ALKALI METAL SALT OF ACETOACETIC NIPPON SODA COMPANY LIMITED (JP) 1982-10-19 US disclosed