SCHEMBL2592387

SCHEMBL2592387

COC(=O)CC(=O)CCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
MGAM O43451 2/20 0.48
GAA P10253 2/20 0.48
SI P14410 2/20 0.48
MGAM2 Q2M2H8 2/20 0.48
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
RECQL P46063 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.35
POLA1 P09884 1/20 0.35

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
SCHEMBL11756126 0.86 TSHR (0.61) TSHRMGAMGAASIMGAM2
SCHEMBL29209613 0.82 TSHR (0.65) TSHRMGAMGAASIMGAM2
SCHEMBL6560703 0.81 TSHR (0.72) TSHRMGAMGAASIMGAM2
SCHEMBL95588 0.80
SCHEMBL2593140 0.80 GAA (0.64) MGAMGAASIMGAM2LMNA
SCHEMBL27976 0.80 MGAM (0.61) TSHRMGAMGAASIMGAM2
SCHEMBL647475 0.79 TSHR (0.52) TSHRMGAMGAASIMGAM2
SCHEMBL801620 0.79 MGAM (0.36) TSHRMGAMGAASIMGAM2
SCHEMBL6239844 0.78 TSHR (0.61) TSHRLMNAKDM4EHSD17B10KMT2A
Hydrochloric Acid SCHEMBL2652403 0.78

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 31 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
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
WO-2006017761-A2 EPOTHILONE ANALOGUES AS THERAPEUTIC AGENTS EMORY UNIVERSITY (US) 2006-02-16 WO disclosed
EP-0743304-B1 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones MERCK PATENT GMBH (DE) 2003-03-26 EP disclosed
CN-1066138-C 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GMBH (DE) 2001-05-23 CN disclosed
CN-1141291-A 4-(Arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GMBH (DE) 1997-01-29 CN disclosed
EP-0743304-A1 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones MERCK PATENT GmbH (DE) 1996-11-20 EP disclosed