SCHEMBL2593182

SCHEMBL2593182

CCOC(=O)CC(O)CC=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
ALDH1A1 P00352 7/20 0.40
TRPA1 O75762 1/20 0.40
ALOX15 P16050 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 2/20 0.37
CHRM1 P11229 1/20 0.37
ADORA1 P30542 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CYP1A2 P05177 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL16976223 1.00 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL13917198 0.85 SOAT1 (0.47) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1258369 0.83 GAA (0.55) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28172951 0.82 GAA (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL12925787 0.82 GAA (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11406706 0.81 NR1I2 (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL11406682 0.81 NR1I2 (0.45) MGAMGAASIMGAM2ALDH1A1
SCHEMBL8136448 0.79 TSHR (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL2592556 0.79 TSHR (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9743315 0.79 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220025411-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA INC (US) 2022-01-27 US disclosed
US-20210147881-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA INC (US) 2021-05-20 US disclosed
US-20200299736-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA INC (US) 2020-09-24 US disclosed
EP-2566969-B1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA INC (US) 2019-09-04 EP disclosed
US-20190127764-A1 MICROORGANISMS FOR PRODUCING BUTADIENE AND METHODS RELATED THERETO GENOMATICA INC (US) 2019-05-02 US disclosed
US-20190048366-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA INC (US) 2019-02-14 US disclosed
US-10006055-B2 Microorganisms for producing butadiene and methods related thereto GENOMATICA, INC. (US) 2018-06-26 US disclosed
US-20180155742-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE AGAIN BIO APS (DK) 2018-06-07 US disclosed
US-9732361-B2 Microorganisms and methods for the biosynthesis of butadiene GENOMATICA, INC. (US) 2017-08-15 US disclosed
US-20170044572-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA INC (US) 2017-02-16 US disclosed
US-20140155567-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA, INC. (US) 2014-06-05 US disclosed
EP-2670852-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE Genomatica, Inc. (US) 2013-12-11 EP disclosed
US-8580543-B2 Microorganisms and methods for the biosynthesis of butadiene GENOMATICA, INC. (US) 2013-11-12 US disclosed
EP-2566969-A2 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE Genomatica, Inc. (US) 2013-03-13 EP disclosed
US-20130011891-A1 MICROORGANISMS FOR PRODUCING BUTADIENE AND METHODS RELATED THERETO GENOMATICA, INC. 2013-01-10 US disclosed
WO-2012177710-A1 MICROORGANISMS FOR PRODUCING BUTADIENE AND METHODS RELATED THERETO GENOMATICA, INC. (US) 2012-12-27 WO disclosed
US-20120225466-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA, INC. (US) 2012-09-06 US disclosed
WO-2012106516-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA, INC. (US) 2012-08-09 WO disclosed
US-20110300597-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE AGAIN BIO APS (DK) 2011-12-08 US disclosed
WO-2011140171-A2 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA, INC. (US) 2011-11-10 WO disclosed