SCHEMBL127601

SCHEMBL127601

C[CH]C(=O)OCCCC

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
SCHEMBL698457 0.93 HCAR2 (0.62)
SCHEMBL4369309 0.91 HCAR2 (0.63)
SCHEMBL5238456 0.91 HCAR2 (0.63)
SCHEMBL8379400 0.91 HCAR2 (0.63)
SCHEMBL4371063 0.91 HCAR2 (0.63)
SCHEMBL697992 0.91 HCAR2 (0.63)
SCHEMBL8390518 0.91 HCAR2 (0.63)
SCHEMBL8376821 0.91 HCAR2 (0.63)
SCHEMBL1245209 0.91 HCAR2 (0.63)
SCHEMBL5239452 0.91 HCAR2 (0.63)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107343965-B Bone adhesive and preparation method thereof 中国科学院化学研究所 2020-04-24 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-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 US claimed
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 claimed
EP-3558986-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL PYRROLONES AND 1,2,4-THIADIAZOLYL HYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
WO-2018114663-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO claimed
WO-2018114662-A1 SUBSTITUTED 1,2,4-THIADIAZOLYL PYRROLONES AND 1,2,4-THIADIAZOLYL HYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO claimed
EP-3256448-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2017-12-20 EP claimed
WO-2016128365-A1 SUBSTITUTED 1-CYCLOALKYL-2-OXOTETRAHYDROQUINOLIN-6-YL-SULFONAMIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-08-18 WO claimed
WO-2007111933-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING A HYPOGLYCEMIC AGENT AND METHODS OF USING SAME INTRANASAL THERAPEUTICS , INC. (US) 2007-10-04 WO claimed
WO-1996003385-A1 3,4-SUBSTITUTED PYRAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO claimed
US-5486534-A 3,4-substituted pyrazoles for the treatment of inflammation G. D. SEARLE & CO. (US) 1996-01-23 US claimed
US-5478713-A Containing specified yellow dye-forming coupler and hydrazine derivative discoloration inhibitor FUJI PHOTO FILM CO., LTD. (JP) 1995-12-26 US claimed
EP-0274127-B1 Biologically degradable derivatives of poly(hydroxy alkyl)aminodicarboxylic acid, process for their preparation and their use for sustained release compositions HOECHST AG (DE) 1993-12-01 EP claimed
US-4960768-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 US claimed
US-4906473-A Biodegradable poly(hydroxyalkyl)amino dicarboxylic acid) derivatives, a process for their preparation, and the use thereof for depot formulations with controlled delivery of active ingredient HOECHST AKTIENGESELLSCHAFT (DE) 1990-03-06 US claimed
US-4863954-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 US claimed
EP-0241735-A2 Acyloxythiophene carbon amide BAYER AG (DE) 1987-10-21 EP claimed
US-4636242-A SYMMETRICAL DIALKYL POLYSULFIDE PLASTICIZER THE O. M. SCOTT AND SONS COMPANY (US) 1987-01-13 US claimed
US-4159379-A Dispersion dyestuffs of the naphtholactam series CIBA-GEIGY AG (CH) 1979-06-26 US claimed