SCHEMBL8736205

SCHEMBL8736205

CCC(=O)C(=O)OC(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.32
PRKCA P17252 1/20 0.32
TDP1 Q9NUW8 2/20 0.30
FFAR3 O14843 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL392424 0.84 CES2 (0.46) ELANEFFAR3ALDH1A1
SCHEMBL8733360 0.81 CES1 (0.50) ELANEALDH1A1
SCHEMBL5034136 0.78 ALDH1A1 (0.41) TDP1FFAR3ALDH1A1
SCHEMBL8961342 0.78 CA2 (0.38) ELANEPRKCATDP1ALDH1A1
SCHEMBL10697593 0.74 TSHR (0.50) ELANEALDH1A1
SCHEMBL65267 0.74 ELANE (0.40) ELANEPRKCAALDH1A1
SCHEMBL11876913 0.74 ELANE (0.33) ELANEPRKCAALDH1A1
SCHEMBL3122471 0.74 ELANE (0.33) ELANEPRKCAALDH1A1
SCHEMBL7989586 0.74 ELANE (0.34) ELANEPRKCATDP1FFAR3ALDH1A1
SCHEMBL3849335 0.74 ELANE (0.33) ELANEPRKCAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8092164-A None JP disclosed
EP-0693473-B1 Method of producing pivaloylacetic acid ester UBE INDUSTRIES (JP) 1998-04-22 EP disclosed
US-5679830-A DECARBONYLATION OF PIVALOYLPYRUVIC ACID IN THE PRESENCE OF AN INORGANIC OXIDE CATALYST UBE INDUSTRIES, LTD. (JP) 1997-10-21 US disclosed
JP-H0892164-A PRODUCTION OF PIVALOYLACETIC ACID ESTER UBE IND LTD 1996-04-09 JP disclosed
EP-0693473-A1 Method of producing pivaloylacetic acid ester UBE INDUSTRIES, LTD. (JP) 1996-01-24 EP disclosed
US-4370499-A CHEMICAL INTERMEDIATES FOR COLOR PHOTOGRAPHY BAYER AKTIENGESELLSCHAFT (DE) 1983-01-25 US disclosed