SCHEMBL2932467

SCHEMBL2932467

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

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 1/20 0.45
TET2 Q6N021 1/20 0.39
HMGCR P04035 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
ADRA1A P35348 1/20 0.38
FFAR3 O14843 1/20 0.33
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL4425053 1.00 TSHR (0.45) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL581582 0.77
SCHEMBL79613 0.77
SCHEMBL2327762 0.77
SCHEMBL4963143 0.77 TSHR (0.50) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL126425 0.76 HMGCR (0.55) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL13686398 0.76 ALDH1A1 (0.43) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL4381836 0.74 TSHR (0.40) TSHRALDH1A1TET2HMGCRCHRM1
SCHEMBL6755733 0.74
SCHEMBL9247690 0.74 TSHR (0.40) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787900-B2 Biodegradable sustainable polyesters MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-10-17 US claimed
US-20230151142-A1 BIODEGRADABLE SUSTAINABLE POLYESTERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2023-05-18 US claimed
WO-2023081515-A1 BIODEGRADABLE SUSTAINABLE POLYESTERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-05-11 WO claimed
US-11787900-B2 Biodegradable sustainable polyesters MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-10-17 US disclosed
US-20230151142-A1 BIODEGRADABLE SUSTAINABLE POLYESTERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2023-05-18 US disclosed
WO-2023081515-A1 BIODEGRADABLE SUSTAINABLE POLYESTERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-05-11 WO disclosed
CN-114062570-A Method for evaluating quality of pinellia ternate and sparrow lawn pinellia ternate based on organic acid 合肥师范学院 2022-02-18 CN disclosed
WO-2018157942-A1 CELL-FREE SYNTHESIS OF ISOTOPIC LABELLED PROTEINS FROM AMINO-ACIDS PRECURSORS NMR - BIO (FR) 2018-09-07 WO disclosed
EP-2834360-B1 AUTO-INDUCIBLE EXPRESSION SYSTEM, AND THE USE THEREOF FOR PRODUCING USEFUL METABOLITES USING A BACTERIUM OF THE FAMILY ENTEROBACTERIACEAE AJINOMOTO KK (JP) 2018-05-23 EP disclosed
WO-2018037097-A1 METHOD FOR PREPARING RICH CULTURE MEDIA FOR LABELLING AMINO ACIDS INCORPORATED INTO PROTEINS COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-03-01 WO disclosed
US-9574216-B2 Auto-indicible expression system, and the use thereof for producing useful metabolites using a bacterium of the family enterobacteriaceae AJINOMOTO CO., INC. (JP) 2017-02-21 US disclosed
CN-104334729-B Autologous inducible expression, and utilizing enterobacteriaceae lactobacteriaceae to produce the purposes in useful metabolin 味之素株式会社 2016-06-29 CN disclosed
EP-2834360-A1 AUTO-INDUCIBLE EXPRESSION SYSTEM, AND THE USE THEREOF FOR PRODUCING USEFUL METABOLITES USING A BACTERIUM OF THE FAMILY ENTEROBACTERIACEAE Ajinomoto Co., Inc. (JP) 2015-02-11 EP disclosed
CN-104334729-A Auto-inducible expression system, and the use thereof for producing useful metabolites using a bacterium of the family Enterobacteriaceae AJINOMOTO KK 2015-02-04 CN disclosed
WO-2013151174-A1 AUTO-INDUCIBLE EXPRESSION SYSTEM, AND THE USE THEREOF FOR PRODUCING USEFUL METABOLITES USING A BACTERIUM OF THE FAMILY ENTEROBACTERIACEAE AJINOMOTO CO.,INC. (JP) 2013-10-10 WO disclosed
US-8311790-B2 Reverse engineering genome-scale metabolic network reconstructions for organisms with incomplete genome annotation and developing constraints using proton flux states and numerically-determined sub-systems UNIVERSITY OF DELAWARE (US) 2012-11-13 US disclosed
EP-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed
US-20090259451-A1 REVERSE ENGINEERING GENOME-SCALE METABOLIC NETWORK RECONSTRUCTIONS FOR ORGANISMS WITH INCOMPLETE GENOME ANNOTATION AND DEVELOPING CONSTRAINTS USING PROTON FLUX STATES AND NUMERICALLY-DETERMINED SUB-SYSTEMS UNIVERSITY OF DELAWARE (US) 2009-10-15 US disclosed
EP-0623580-B1 2-ceto-3-methyl-4-hydroxy-valeric acid GIVAUDAN ROURE INT (CH) 1997-03-26 EP disclosed