SCHEMBL17822676

SCHEMBL17822676

CCCC(C)(N=C=O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL28799371 0.88 ALDH1A1 (0.32) ALDH1A1HSD17B10
SCHEMBL4907468 0.88 ALDH1A1 (0.32) ALDH1A1HSD17B10
SCHEMBL9232871 0.85 FFAR1 (0.35) ALDH1A1
SCHEMBL8729386 0.83 TSHR (0.32) ALDH1A1
SCHEMBL11697931 0.80
SCHEMBL7953748 0.79 RNPEP (0.33)
SCHEMBL7953747 0.79 RNPEP (0.33)
SCHEMBL27693428 0.78 TSHR (0.32) ALDH1A1
SCHEMBL17938590 0.78 ALDH1A1 (0.35) ALDH1A1LMNAHSD17B10
SCHEMBL5612650 0.78 ALDH1A1 (0.35) ALDH1A1LMNAHSD17B10

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-3230267-B1 FIVE-MEMBERED C-N LINKED ARYLSULFIDE AND ARYLSULFOXIDE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2018-09-26 EP disclosed
EP-3230267-A1 FIVE-MEMBERED C-N BONDED ARYL SULPHIDE AND ARYL SULPHOXIDE DERIVATIVES AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2017-10-18 EP disclosed
CN-103483236-B Prepare method and the intermediate of 5-biphenyl-4-yl-2-methylpentanoic acid derivatives 诺华股份有限公司 2016-09-28 CN disclosed
WO-2016091857-A1 FIVE-MEMBERED C-N BONDED ARYL SULPHIDE AND ARYL SULPHOXIDE DERIVATIVES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-16 WO disclosed