SCHEMBL54996

SCHEMBL54996

CCOC([O])=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Hydrochloric Acid SCHEMBL27469698 0.97
Fluoride SCHEMBL27813392 0.97
Propane SCHEMBL28291511 0.97 ALDH1A1 (0.56)
Ethane SCHEMBL28123742 0.97
Propane SCHEMBL28123177 0.97
Chloromethane SCHEMBL27512001 0.94
Bromoethane SCHEMBL27282477 0.91
SCHEMBL27536211 0.91
SCHEMBL4452989 0.80 GAA (0.55)
SCHEMBL7185101 0.78 ALDH1A1 (0.65)

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

Appears in 7407 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116375706-A Abamectin sodium key intermediate and preparation method thereof 时森海(杭州)医药科技有限公司 2023-07-04 CN claimed
CN-110857285-B Substituted pyrazole compound, preparation method, pharmaceutical composition and application thereof 江苏万高药业股份有限公司 2022-12-20 CN claimed
EP-3858385-A2 POLYMER-CONJUGATED METAP2 INHIBITORS, AND THERAPEUTIC METHODS OF USE THEREOF Syndevrx, Inc. (US) 2021-08-04 EP claimed
US-20210128607-A1 POLYMER-CONJUGATED METAP2 INHIBITORS, AND THERAPEUTIC METHODS OF USE THEREOF SYNDEVRX, INC. 2021-05-06 US claimed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
CN-111727185-A Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances 拜耳公司 2020-09-29 CN claimed
US-20200095241-A1 SUBSTITUTED 1,2,4-THIADIAZOLYLPYRROLONES AND 1,2,4-THIADIAZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-26 US claimed
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-12 US claimed
WO-2020002091-A1 SUBSTITUTED THIAZOLYLPYRROLONES, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 WO claimed
US-4140684-A FOR POLYESTERS, POLYAMIDES, AND CELLULOSE ACETATES FIDELITY UNION TRUST COMPANY, EXECUTIVE TRUSTEE UNDER THE SANDOZ TRUST (US) 1979-02-20 US claimed
US-4124581-A FOR NATURAL AND SYNTHETIC FIBERS, COLORFAST BAYER AKTIENGESELLSCHAFT (DE) 1978-11-07 US claimed
US-4119777-A BY OXIDATION OF A THIOAMIDE DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 1978-10-10 US claimed
US-4087426-A Oxybisberberine and a process for its production RESEARCH CORPORATION (US) 1978-05-02 US claimed
US-4046757-A 2-Optionally substituted alkyl-and phenylsulfonylphenyl-azo-phenyl dyes and a process for their synthesis SANDOZ LTD. (CH) 1977-09-06 US claimed
US-4020063-A Oxadiazepine cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-04-26 US claimed
US-4003887-A ANTIMICROBIAL SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-01-18 US claimed
US-3954743-A FLUORESCENT DISPERSION DYES SANDOZ LTD. (CH) 1976-05-04 US claimed
US-3954733-A ANTIBIOTIC SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-05-04 US claimed
US-3930866-A MAGENTA FUJI PHOTO FILM CO., LTD. (JA) 1976-01-06 US claimed