SCHEMBL2592558

SCHEMBL2592558

CC(C(=O)O)C(O)CC=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
GABRR1 P24046 2/20 0.30
RNPEP Q9H4A4 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SLC7A5 Q01650 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
SCHEMBL976765 0.79 GRIK1 (0.39) TP53
SCHEMBL28068346 0.79 GRIK1 (0.39) TP53
SCHEMBL10570752 0.78 TP53 (0.35) TP53GABRR1RNPEPCYP1A2SLC7A5
SCHEMBL1061282 0.77 GRIK1 (0.44) TP53ALDH1A1
SCHEMBL12589962 0.77 GRIK1 (0.44) TP53CYP1A2ALDH1A1
SCHEMBL6231134 0.77 GRIK1 (0.44) TP53ALDH1A1
SCHEMBL6231140 0.77 GRIK1 (0.44) TP53ALDH1A1
SCHEMBL2582453 0.74 CHRM1 (0.41) ALDH1A1
SCHEMBL21000839 0.74
SCHEMBL6603742 0.74

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 26 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
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
CN-103080324-A Microorganisms and methods for butadiene biosynthesis GENOMATICA INC 2013-05-01 CN 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