SCHEMBL285223

SCHEMBL285223

CC(C)CCC(=O)O.CC(C)CCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.62
GABRD O14764 2/20 0.62
GABRA1 P14867 2/20 0.62
GABRB1 P18505 2/20 0.62
GABRG2 P18507 2/20 0.62
GABRB3 P28472 2/20 0.62
GABRA5 P31644 2/20 0.62
GABRA3 P34903 2/20 0.62
GABRA2 P47869 2/20 0.62
GABRB2 P47870 2/20 0.62
GABRA4 P48169 2/20 0.62
GABRE P78334 2/20 0.62
GABRA6 Q16445 2/20 0.62
GABRG1 Q8N1C3 2/20 0.62
GABRG3 Q99928 2/20 0.62
GABRQ Q9UN88 2/20 0.62
CYP1A2 P05177 2/20 0.62
CA1 P00915 2/20 0.57
KDM4C Q9H3R0 4/20 0.50
TET2 Q6N021 3/20 0.50

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
SCHEMBL25603 1.00
Hydrochloric Acid SCHEMBL692089 0.97
Ethane SCHEMBL29077102 0.97 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27917143 0.97
SCHEMBL28296282 0.97
SCHEMBL8741784 0.97
Hydrochloric Acid SCHEMBL29184689 0.97 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8741776 0.97
SCHEMBL125656 0.97
Ammonia Solution, Strong SCHEMBL27810486 0.97

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834690-B2 Microorganisms and methods for the biosynthesis of adipate, hexamethylenediamine and 6-aminocaproic acid GENOMATICA, INC. (US) 2023-12-05 US disclosed
EP-4273255-A2 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF HEXAMETHYLENEDIAMINE Genomatica, Inc. (US) 2023-11-08 EP disclosed
EP-3611254-B1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF HEXAMETHYLENEDIAMINE GENOMATICA INC (US) 2023-07-05 EP disclosed
US-20230022727-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF ADIPATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROIC ACID GENOMATICA INC (US) 2023-01-26 US disclosed
US-11208673-B2 Microorganisms and methods for the biosynthesis of adipate, hexamethylenediamine and 6-aminocaproic acid GENOMATICA, INC. (US) 2021-12-28 US disclosed
EP-3611254-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF HEXAMETHYLENEDIAMINE Genomatica, Inc. (US) 2020-02-19 EP disclosed
US-20190330670-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF ADIPATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROIC ACID AGAIN BIO APS (DK) 2019-10-31 US disclosed
EP-2427544-B1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF ADIPATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROIC ACID GENOMATICA INC (US) 2019-07-17 EP disclosed
US-10150977-B2 Microorganisms and methods for the biosynthesis of adipate, hexamethylenediamine and 6-aminocaproic acid GENOMATICA, INC. (US) 2018-12-11 US disclosed
US-20170218414-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF ADIPATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROIC ACID AGAIN BIO APS (DK) 2017-08-03 US disclosed
US-9458480-B2 Microorganisms and methods for the biosynthesis of adipate, hexamethylenediamine and 6-aminocaproic acid GENOMATICA, INC. (US) 2016-10-04 US disclosed
US-8753850-B2 2014-06-17 US disclosed
US-20130303723-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF ADIPATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROIC ACID AGAIN BIO APS (DK) 2013-11-14 US disclosed
US-8377680-B2 Microorganisms and methods for the biosynthesis of adipate, hexamethylenediamine and 6-aminocaproic acid GENOMATICA, INC. (US) 2013-02-19 US disclosed
WO-2012177721-A1 MICROORGANISMS FOR PRODUCING 6-AMINOCAPROIC ACID GENOMATICA, INC. (US) 2012-12-27 WO disclosed
US-20120282661-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF ADIPATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROIC ACID GENOMATICA, INC. (US) 2012-11-08 US disclosed
EP-2427544-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF ADIPATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROIC ACID Genomatica, Inc. (US) 2012-03-14 EP disclosed
US-20100317069-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF ADIPATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROIC ACID AGAIN BIO APS (DK) 2010-12-16 US disclosed
WO-2010129936-A1 MICROORGANISMS AND METHODS FOR THE BIOSYNTHESIS OF ADIPATE, HEXAMETHYLENEDIAMINE AND 6-AMINOCAPROIC ACID GENOMATICA, INC. (US) 2010-11-11 WO disclosed