SCHEMBL127722

SCHEMBL127722

CCCCC[CH]C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
EP300 Q09472 1/20 0.42
TSHR P16473 1/20 0.41
TERT O14746 3/20 0.41
PTPN1 P18031 3/20 0.41
PPARG P37231 3/20 0.41
PPARD Q03181 3/20 0.41
PPARA Q07869 3/20 0.41
CYP1A2 P05177 2/20 0.41
MAPT P10636 2/20 0.41
CYP2C19 P33261 2/20 0.41
BLM P54132 2/20 0.41
HSD17B10 Q99714 2/20 0.41
FABP4 P15090 2/20 0.41
FAAH O00519 2/20 0.41
KMT2A Q03164 2/20 0.41
GMNN O75496 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 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
SCHEMBL2167450 0.98 EPHX1 (0.45) EPHX1EP300TSHRTERTPTPN1
SCHEMBL2018468 0.98 EPHX1 (0.45) EPHX1EP300TSHRTERTPTPN1
SCHEMBL8544644 0.98 EPHX1 (0.45) EPHX1EP300TSHRTERTPTPN1
SCHEMBL5078165 0.98 EPHX1 (0.45) EPHX1EP300TSHRTERTPTPN1
SCHEMBL8744391 0.98 EPHX1 (0.45) EPHX1EP300TSHRTERTPTPN1
SCHEMBL8744318 0.98 EPHX1 (0.45) EPHX1EP300TSHRTERTPTPN1
SCHEMBL8744392 0.98 EPHX1 (0.45) EPHX1EP300TSHRTERTPTPN1
SCHEMBL127597 0.93
SCHEMBL128030 0.83
SCHEMBL7349048 0.80 HCAR2 (0.39) TSHRCYP1A2BLMKMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4623747-A Terpene diesters and process for preparing the same UNION CAMP CORPORATION (US) 1986-11-18 US claimed
CN-107922370-B Hydrophilic compounds for optically active devices 默克专利股份有限公司 2021-12-10 CN disclosed
CN-109476873-B Formulations for LED encapsulation materials AZ电子材料(卢森堡)有限公司 2021-08-24 CN disclosed
CN-112236882-A Organic semiconductor compound 天光材料科技股份有限公司 2021-01-15 CN disclosed
CN-106164127-B Organic semiconductor compound 默克专利股份有限公司 2020-10-16 CN disclosed
CN-106458815-B Condensed double-aryl fullerene derivate 默克专利股份有限公司 2019-11-15 CN disclosed
EP-3558976-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP disclosed
CN-106715518-B Conjugated polymer 默克专利有限公司 2019-10-25 CN disclosed
EP-2943584-B1 MACROPHAGE IDENTIFICATION AGENT, AND IDENTIFICATION METHOD, SORTING METHOD, EVALUATION METHOD, SCREENING METHOD AND KIT USING THE MACROPHAGE IDENTIFIER AGENT CANON KK (JP) 2019-08-14 EP disclosed
CN-106103436-B Organic semiconductor compound 默克专利股份有限公司 2019-07-09 CN disclosed
US-5594135-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1997-01-14 US disclosed
US-5571449-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-11-05 US disclosed
EP-0167451-B1 A NEW PROCESS FOR PREPARING NOVEL N-(ACYLOXY-ALKOXY) CARBONYL DERIVATIVES USEFUL AS BIOREVERSIBLE PRODRUG MOIETIES FOR PRIMARY AND SECONDARY AMINE FUNCTIONS IN DRUGS MERCK & CO. INC. (US) 1990-10-03 EP disclosed
US-4916230-A Process for preparing novel N-(acyloxy-alkoxy)carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO., INC. (US) 1990-04-10 US disclosed
US-4590291-A Thrombin inhibitory new dihydroxybenzene ether derivatives BAYER AKTIENGESELLSCHAFT (DE) 1986-05-20 US disclosed
EP-0074607-B1 PROCESS FOR PREPARING TRIACETONE AMINE ADEKA ARGUS CHEMICAL CO., Ltd. (JP) 1986-01-15 EP disclosed
EP-0167451-A2 A new process for preparing novel N-(acyloxy-alkoxy) carbonyl derivatives useful as bioreversible prodrug moieties for primary and secondary amine functions in drugs MERCK & CO. INC. (US) 1986-01-08 EP disclosed
US-4554367-A PRESERVATIVES, PLANT PROTECTIVE AGENTS CIGA-GEIGY CORPORATION (US) 1985-11-19 US disclosed
EP-0105843-A2 Phosphonium organohalostannates (IV) CIBA-GEIGY AG (CH) 1984-04-18 EP disclosed
EP-0068250-A1 Dioxybenzene ether derivatives, pharmaceutical compositions containing them, process for the preparation thereof and their use BAYER AG (DE) 1983-01-05 EP disclosed