SCHEMBL61007

SCHEMBL61007

CC(C)COC(=O)[C@@H](N)CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.37
▸ GABRP O00591 2/20 0.35
▸ GABRD O14764 2/20 0.35
▸ GABRA1 P14867 2/20 0.35
▸ GABRB1 P18505 2/20 0.35
▸ GABRG2 P18507 2/20 0.35
▸ GABRB3 P28472 2/20 0.35
▸ GABRA5 P31644 2/20 0.35
▸ GABRA3 P34903 2/20 0.35
▸ GABRA2 P47869 2/20 0.35
▸ GABRB2 P47870 2/20 0.35
▸ GABRA4 P48169 2/20 0.35
▸ GABRE P78334 2/20 0.35
▸ GABRA6 Q16445 2/20 0.35
▸ GABRG1 Q8N1C3 2/20 0.35
▸ GABRG3 Q99928 2/20 0.35
▸ GABRQ Q9UN88 2/20 0.35
▸ SLC7A5 Q01650 1/20 0.35
▸ SLC1A3 P43003 2/20 0.33

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
SCHEMBL28187811 1.00 TSHR (0.41) TSHRALDH1A1GABRPGABRDGABRA1
SCHEMBL19248428 0.83 TSHR (0.41) TSHRALDH1A1SLC7A5SLC1A3SLC1A2
SCHEMBL16086739 0.83 TSHR (0.43) TSHRALDH1A1SLC7A5SLC1A3SLC1A2
SCHEMBL27960965 0.83 TSHR (0.43) TSHRALDH1A1SLC7A5SLC1A3SLC1A2
SCHEMBL27960966 0.83 TSHR (0.43) TSHRALDH1A1SLC7A5SLC1A3SLC1A2
SCHEMBL24924115 0.82 TSHR (0.39) TSHRALDH1A1GABRPGABRDGABRA1
SCHEMBL24950471 0.82 TSHR (0.39) TSHRALDH1A1GABRPGABRDGABRA1
SCHEMBL677268 0.80 TSHR (0.38) TSHRALDH1A1GABRPGABRDGABRA1
SCHEMBL25128372 0.80 GABRP (0.52) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL21663697 0.80 ALOX15 (0.50) TSHRALDH1A1GABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4414451-A2 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4 HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS Genomatica, Inc. (US) 2024-08-14 — — EP disclosed
EP-2989113-B1 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4-HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS GENOMATICA INC (US) 2024-04-10 — — EP disclosed
US-11932845-B2 Microorganisms and methods for production of 4-hydroxybutyrate, 1,4-butanediol and related compounds GENOMATICA, INC. (US) 2024-03-19 — — US disclosed
US-20230065295-A1 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4-HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS GENOMATICA INC (US) 2023-03-02 — — US disclosed
EP-4056706-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL AND RELATED METHODS Genomatica, Inc. (US) 2022-09-14 — — EP disclosed
US-11401534-B2 Microorganisms for the production of 1,4- butanediol and related methods GENOMATICA, INC. (US) 2022-08-02 — — US disclosed
EP-3392340-B1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL AND RELATED METHODS GENOMATICA INC (US) 2022-01-05 — — EP disclosed
CN-113528417-A Microorganisms for producing 1, 4-butanediol and related methods 基因组股份公司 2021-10-22 — — CN disclosed
CN-107384846-B Microorganisms for producing 1, 4-butanediol and related methods 基因组股份公司 2021-08-10 — — CN disclosed
US-11085015-B2 Microorganisms and methods for production of 4-hydroxybutyrate, 1,4-butanediol and related compounds GENOMATICA, INC. (US) 2021-08-10 — — US disclosed
US-20130071886-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL GENOMATICA, INC. (US) 2013-03-21 — — US disclosed
US-20130034884-A1 MICROORGANISMS FOR PRODUCING 1,4-BUTANEDIOL AND METHODS RELATED THERETO GENOMATICA, INC. (US) 2013-02-07 — — US disclosed
US-20130029381-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL, 4-HYDROXYBUTANAL, 4-HYDROXYBUTYRYL-COA, PUTRESCINE AND RELATED COMPOUNDS, AND METHODS RELATED THERETO GENOMATICA, INC. (US) 2013-01-31 — — US disclosed
US-20120225463-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL AND RELATED METHODS GENOMATICA, INC. (US) 2012-09-06 — — US disclosed
US-8129156-B2 Microorganisms for the production of 1,4-butanediol GENOMATICA, INC. (US) 2012-03-06 — — US disclosed
US-8129169-B2 Microorganisms for the production of 1,4-butanediol and related methods GENOMATICA, INC. (US) 2012-03-06 — — US disclosed
US-20110159572-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL GENOMATICA, INC. (US) 2011-06-30 — — US disclosed
US-20110045575-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL AND RELATED METHODS GENOMATICA, INC. 2011-02-24 — — US disclosed
US-7858350-B2 Microorganisms for the production of 1,4-butanediol GENOMATICA, INC. (US) 2010-12-28 — — US disclosed
US-20100112654-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL AGAIN BIO APS (DK) 2010-05-06 — — US disclosed
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