SCHEMBL2585075

SCHEMBL2585075

O=C(O)CC(O)CCOP(=O)(O)OP(=O)(O)O

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MVD P53602 4/20 0.50
BTN3A1 O00481 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.40
GPR84 Q9NQS5 4/20 0.37
MAPT P10636 1/20 0.36
GABRR1 P24046 2/20 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
SCHEMBL2593815 0.85 SLC22A6 (0.46) MVDSLC22A6GPR84MAPTGABRR1
SCHEMBL21310680 0.81 MVD (0.50) MVDBTN3A1
SCHEMBL3775300 0.74 BTN3A1 (0.52) MVDBTN3A1
SCHEMBL7531145 0.72 BTN3A1 (0.61) MVDBTN3A1
SCHEMBL155704 0.72 BTN3A1 (0.53) MVDBTN3A1
SCHEMBL155705 0.72 BTN3A1 (0.53) MVDBTN3A1
SCHEMBL9169806 0.71 SLC22A6 (0.52) SLC22A6GPR84MAPTGABRR1
SCHEMBL6403901 0.71 SLC22A6 (0.57) SLC22A6GPR84MAPTGABRR1
SCHEMBL2575780 0.71 BTN3A1 (0.55) MVDBTN3A1
Acetic Acid SCHEMBL29193620 0.71 BTN3A1 (0.56) MVDBTN3A1

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-20220220511-A1 MICROORGANISMS AND METHODS FOR PRODUCING BUTADIENE AND RELATED COMPOUNDS BY FORMATE ASSIMILATION GENOMATICA INC (US) 2022-07-14 US disclosed
US-20220025411-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA INC (US) 2022-01-27 US disclosed
US-20210238609-A1 MICROORGANISMS AND METHODS FOR PRODUCING BUTADIENE AND RELATED COMPOUNDS BY FORMATE ASSIMILATION GENOMATICA INC (US) 2021-08-05 US disclosed
CN-112877370-A Modified microorganism and method for producing butadiene using the same 布拉斯科南美公司 2021-06-01 CN 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-2791342-B1 MODIFIED MICROORGANISMS AND METHODS OF MAKING BUTADIENE USING SAME BRASKEM SA (BR) 2020-04-29 EP disclosed
EP-2566969-B1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF BUTADIENE GENOMATICA INC (US) 2019-09-04 EP disclosed
US-10364436-B2 Compositions and methods for clostridial transformation DANISCO US INC. (US) 2019-07-30 US disclosed
US-20190127764-A1 MICROORGANISMS FOR PRODUCING BUTADIENE AND METHODS RELATED THERETO GENOMATICA INC (US) 2019-05-02 US disclosed
US-8580543-B2 Microorganisms and methods for the biosynthesis of butadiene GENOMATICA, INC. (US) 2013-11-12 US disclosed
US-20130189753-A1 METHODS FOR BIOSYNTHESIZING 1,3 BUTADIENE INVISTA NORTH AMERICA S.A R.L. (US) 2013-07-25 US disclosed
WO-2013090915-A1 MODIFIED MICROORGANISMS AND METHODS OF MAKING BUTADIENE USING SAME BRASKEM S.A. (BR) 2013-06-20 WO 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