SCHEMBL9720591

SCHEMBL9720591

CCCCOC(=O)/C(Cl)=C(/Cl)C(=O)OCCCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
ATM Q13315 1/20 0.52
TSHR P16473 5/20 0.50
HPGD P15428 1/20 0.48
HCAR2 Q8TDS4 1/20 0.45
NAAA Q02083 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAD52 P43351 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.42
EPHX1 P07099 1/20 0.42
ESR1 P03372 2/20 0.42
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41

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
SCHEMBL9720593 1.00 ALDH1A1 (0.56) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL26670087 0.93 TSHR (0.59) ALDH1A1ATMTSHRHCAR2NAAA
SCHEMBL29220279 0.91 TSHR (0.62) ALDH1A1TSHRHCAR2NAAARAD52
SCHEMBL29220191 0.91 TSHR (0.62) ALDH1A1TSHRHCAR2NAAARAD52
SCHEMBL26670086 0.87 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL29116280 0.87 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL7065654 0.86 ALDH1A1 (0.56) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL29116278 0.86 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL26670066 0.86 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL9720639 0.86 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN claimed
CN-117126313-B Catalyst solid component for olefin polymerization, preparation method and application thereof 中国科学院化学研究所 2024-03-22 CN claimed
CN-117126310-A 2, 3-dihalogen substituted maleate type internal electron donor, preparation method and application thereof 中国科学院化学研究所 2023-11-28 CN claimed
CN-117126313-A Catalyst solid component for olefin polymerization, preparation method and application thereof 中国科学院化学研究所 2023-11-28 CN claimed
WO-2023221562-A1 CATALYST SOLID COMPONENT FOR OLEFIN POLYMERIZATION, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 中国科学院化学研究所 2023-11-23 WO claimed
CN-118108878-A Organic polymer carrier and preparation method and application thereof 中国石油天然气股份有限公司 2024-05-31 CN disclosed
CN-117126313-B Catalyst solid component for olefin polymerization, preparation method and application thereof 中国科学院化学研究所 2024-03-22 CN disclosed
CN-117126310-A 2, 3-dihalogen substituted maleate type internal electron donor, preparation method and application thereof 中国科学院化学研究所 2023-11-28 CN disclosed
CN-117126313-A Catalyst solid component for olefin polymerization, preparation method and application thereof 中国科学院化学研究所 2023-11-28 CN disclosed
WO-2023221562-A1 CATALYST SOLID COMPONENT FOR OLEFIN POLYMERIZATION, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 中国科学院化学研究所 2023-11-23 WO disclosed
US-5101067-A Chemical intermediates for pyridinedicarboxylic acid esters, herbicides WACKER-CHEMIE GMBH (DE) 1992-03-31 US disclosed
US-5008392-A Reacting 2,3-dihalomaleic acid esters with ammonia or salts, reacting product with alpha, B-unsaturated aldehydes or ketones WACKER-CHEMIE GMBH (DE) 1991-04-16 US disclosed
EP-0371499-A2 Process for the preparation of pyridine-2,3-dicarboxylic-acid esters WACKER-CHEMIE GMBH (DE) 1990-06-06 EP disclosed