SCHEMBL2592556

SCHEMBL2592556

COC(=O)CC(O)CC=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
HSD17B10 Q99714 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
KCNA5 P22460 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TET2 Q6N021 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 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
SCHEMBL8136448 1.00 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL28243 0.81 TSHR (0.50) TSHRHSD17B10MGAMGAASI
SCHEMBL18076264 0.81 ALDH1A1 (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL976764 0.81 ALDH1A1 (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL2593182 0.79 MGAM (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL16976223 0.79 MGAM (0.43) TSHRHSD17B10MGAMGAASI
SCHEMBL12820107 0.78 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL119899 0.78 TSHR (0.39) TSHRHSD17B10MGAMGAASI
SCHEMBL9516752 0.76 TSHR (0.50) TSHRL3MBTL1ALDH1A1LMNAMEN1
SCHEMBL13563722 0.76 CACNA2D1 (0.36) TSHRHSD17B10MGAMGAASI

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 25 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
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
US-20080233619-A1 Process For the Enantioselective Enzymatic Reduction of Keto Compounds IEP GMBH (DE) 2008-09-25 US disclosed