SCHEMBL446452

SCHEMBL446452

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 1/20 0.41
TET2 Q6N021 1/20 0.37
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
PGD P52209 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CA2 P00918 1/20 0.33
MAPK1 P28482 1/20 0.33
CPT2 P23786 1/20 0.32
ACLY P53396 1/20 0.32
GGT1 P19440 1/20 0.31
FFAR3 O14843 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
SCHEMBL11487638 1.00 TSHR (0.48) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL28094738 0.81 CHRM1 (0.41) TSHRALDH1A1TET2CHRM1ADRA1A
SCHEMBL15841658 0.80 TSHR (0.41) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL1869793 0.80 TSHR (0.41) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL15841460 0.80 TSHR (0.41) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL31513290 0.78 CA2 (0.47) CA2MAPK1
SCHEMBL2784984 0.77 TSHR (0.43) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL3646440 0.77 TSHR (0.50) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL28133883 0.77 TSHR (0.50) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL220745 0.77 TSHR (0.50) TSHRALDH1A1TET2HMGCRCHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580705-B2 DHAD variants and methods of screening BUTAMAX ADVANCED BIOFUELS LLC (US) 2017-02-28 US claimed
WO-2014151190-A1 DHAD VARIANTS AND METHODS OF SCREENING BUTAMAX ADVANCED BIOFUELS LLC (US) 2014-09-25 WO claimed
US-20140273116-A1 DHAD VARIANTS AND METHODS OF SCREENING BUTAMAX ADVANCED BIOFUELS LLC (US) 2014-09-18 US claimed
WO-2014106107-A2 DHAD VARIANTS FOR BUTANOL PRODUCTION BUTAMAX (TM) ADVANCED BIOFUELS LLC (US) 2014-07-03 WO claimed
US-20140186910-A1 DHAD Variants for Butanol Production BUTAMAXTM ADVANCED BIOFUELS LLC (US) 2014-07-03 US claimed
CN-110367326-A Biological compound preservative for meat products and preservation method thereof 南京工业大学 2019-10-25 CN disclosed
CN-107022297-B A kind of water-fast aqueous polyurethane coating with bi component and preparation method thereof 湖北铁神新材料有限公司 2019-08-02 CN disclosed
US-10308964-B2 Activity of Fe—S cluster requiring proteins BUTAMAX ADVANCED BIOFUELS LLC (US) 2019-06-04 US disclosed
US-10287566-B2 DHAD variants and methods of screening BUTAMAX ADVANCED BIOFUELS LLC (US) 2019-05-14 US disclosed
EP-2536821-B1 IMPROVING ACTIVITY OF FE-S CLUSTER REQUIRING PROTEINS BUTAMAX TM ADVANCED BIOFUELS (US) 2018-06-13 EP disclosed
US-9909149-B2 DHAD variants for butanol production BUTAMAX ADVANCED BIOFUELS LLC (US) 2018-03-06 US disclosed
US-20170226497-A1 DHAD Variants and Methods of Screening GEVO, INC. 2017-08-10 US disclosed
WO-2010037119-A1 ENHANCED IRON-SULFUR CLUSTER FORMATION FOR INCREASED DIHYDROXY-ACID DEHYDRATASE ACTIVITY IN LACTIC ACID BACTERIA Butamax™ Advanced Biofuels LLC (US) 2010-04-01 WO disclosed
US-20100081154-A1 IDENTIFICATION AND USE OF BACTERIAL [2Fe-2S] DIHYDROXY-ACID DEHYDRATASES BUTAMAX(TM) ADVANCED BIOFUELS LLC (US) 2010-04-01 US disclosed
US-20100081154-A1 IDENTIFICATION AND USE OF BACTERIAL [2Fe-2S] DIHYDROXY-ACID DEHYDRATASES BUTAMAX(TM) ADVANCED BIOFUELS LLC (US) 2010-04-01 US disclosed
WO-2010037105-A1 ENHANCED DIHYDROXY-ACID DEHYDRATASE ACTIVITY IN LACTIC ACID BACTERIA Butamax™ Advanced Biofuels LLC (US) 2010-04-01 WO disclosed
US-20100081182-A1 ENHANCED IRON-SULFUR CLUSTER FORMATION FOR INCREASED DIHYDROXY-ACID DEHYDRATASE ACTIVITY IN LACTIC ACID BACTERIA BUTAMAX(TM) ADVANCED BIOFUELS LLC (US) 2010-04-01 US disclosed
EP-1825272-A2 FUNGAL SIGNALLING AND METABOLIC ENZYMES F2G Ltd. (GB) 2007-08-29 EP disclosed
WO-2006059111-A2 FUNGAL SIGNALLING AND METABOLIC ENZYMES F2G LTD (GB) 2006-06-08 WO disclosed
US-4234490-A Intermediates in the synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1980-11-18 US disclosed