SCHEMBL5074549

SCHEMBL5074549

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 3/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
FFAR3 O14843 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 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
SCHEMBL11652667 1.00 ALDH1A1 (0.45) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL29615908 0.79 ALDH1A1 (0.45) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL10430790 0.79
SCHEMBL10430791 0.79
SCHEMBL9398201 0.79 ALDH1A1 (0.36) ALDH1A1TSHRTDP1FFAR3MGAM
SCHEMBL2801034 0.77 ALDH1A1 (0.43) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL647216 0.77 ALDH1A1 (0.43) ALDH1A1TSHRTDP1HSD17B10LMNA
SCHEMBL11750691 0.77
SCHEMBL11296165 0.77
SCHEMBL5075300 0.77 ALDH1A1 (0.41) ALDH1A1TSHRTDP1HSD17B10

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 281 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024186647-A1 METHODS FOR CONVERTING POLYVINYL CHLORIDE TO SMALLER MOLECULES USING OLEFIN CROSS METATHESIS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-09-12 WO claimed
WO-2016026726-A1 PROCESS FOR PURIFYING 1,4-BUTANEDIOL BY EXTRACTION BASF SE (DE) 2016-02-25 WO claimed
US-7345193-B2 Method of contact catalytic reaction MITSUBISHI CHEMICAL CORPORATION (JP) 2008-03-18 US claimed
US-6914156-B2 Process for producing diacetoxybutene MITSUBISHI CHEMICAL CORPORATION (JP) 2005-07-05 US claimed
US-20030176730-A1 Process for producing diacetoxybutene MITSUBISHI CHEMICAL CORPORATION (JP) 2003-09-18 US claimed
EP-0872472-B1 Process for producing diacetoxybutene MITSUBISHI CHEM CORP (JP) 2001-08-16 EP claimed
EP-0872472-A1 Process for producing diacetoxybutene Mitsubishi Chemical Corporation (JP) 1998-10-21 EP claimed
EP-0625503-B1 Process for preparing diacetoxybutene MITSUBISHI CHEM CORP (JP) 1997-09-03 EP claimed
US-5429721-A Process for preparing diacetoxybutene MITSUBISHI CHEMICAL CORPORATION (JP) 1995-07-04 US claimed
EP-0625503-A1 Process for preparing diacetoxybutene Mitsubishi Chemical Corporation (JP) 1994-11-23 EP claimed
US-4236024-A Process for producing diacetoxybutene SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1980-11-25 US claimed
US-4228301-A BY CATALYTIC OXIDATION OF BUTADIENE REACTED WITH ACETIC ACID JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1980-10-14 US claimed
US-4225729-A Process for hydrogenation of diacetoxybutene MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1980-09-30 US claimed
EP-0009741-A1 Process for the preparation of butenediol diesters BASF Aktiengesellschaft (DE) 1980-04-16 EP claimed
US-4152525-A ABSORPTION IN ACETIC ACID, RECYCLING, HYDROLYSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1979-05-01 US claimed
US-4121039-A REACTING CONJUGATED DIENE WITH OXYGEN, CATALYST SELECTIVITY GAF CORPORATION (US) 1978-10-17 US claimed
US-4075413-A PALLADIUM CATALYST MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-02-21 US claimed
US-4062900-A OR BUTENEDIOLHYDROLYZING DIACETOXY-BUTANE OR BUTENE MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1977-12-13 US claimed
US-4057472-A FRACTIONAL DISTILLATION Haji, Noboru (JA) 1977-11-08 US claimed
US-4010197-A Process for producing diacetoxybutanes and butanediols MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1977-03-01 US claimed