SCHEMBL42469

SCHEMBL42469

CCCN(C)C(=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 SCHEMBL10822824 0.97
SCHEMBL3763074 0.84 NPC1 (0.36)
SCHEMBL29736409 0.84 PRMT3 (0.36)
SCHEMBL967653 0.83
SCHEMBL11306477 0.82 CA12 (0.30)
SCHEMBL516045 0.81 EPHX2 (0.49)
Hydrochloric Acid SCHEMBL10823037 0.81 EPHX2 (0.44)
SCHEMBL19928733 0.81 CHRNB2 (0.44)
SCHEMBL7273343 0.79 EPHX2 (0.51)
SCHEMBL4465282 0.79 EPHX2 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117986215-A 2-Phenyl-4-acyl benzofurans, preparation and application thereof 中国医学科学院药物研究所 2024-05-07 CN claimed
EP-3504210-B1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2021-02-24 EP claimed
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 EP claimed
EP-3301749-B1 METHOD FOR PRODUCING SECONDARY BATTERY LG CHEMICAL LTD (KR) 2019-07-03 EP claimed
EP-3504210-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION H. Hoffnabb-La Roche Ag (CH) 2019-07-03 EP claimed
WO-2018041763-A1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2018-03-08 WO claimed
EP-2378601-B1 ELECTROLYTE CONTAINING A EUTECTIC MIXTURE AND A SPECIFIC NITRILE COMPOUND, AND ELECTROCHEMICAL DEVICE COMPRISING THE SAME LG CHEMICAL LTD (KR) 2016-03-30 EP claimed
EP-1747201-B1 2H OR 3H-BENZO[E]INDAZOL-1-YLE CARBAMATE DERIVATIVES, THE PREPARATION AND THERAPEUTIC USE THEREOF SANOFI AVENTIS (FR) 2008-10-15 EP claimed
US-20040218347-A1 Flame-retardant electrolyte solution for electrochemical double-layer capacitors EPCOS AG (DE) 2004-11-04 US claimed
EP-0575191-B1 Non-aqueous electrolyte solvent and battery containing this electrolyte MITSUI PETROCHEMICAL IND (JP) 1997-08-27 EP claimed
EP-0411583-B1 AUTOGENOUSLY AIR-SETTING MORTAR SYREMONT S.p.A. (IT) 1993-06-16 EP claimed
EP-0051877-B1 CARBAMOYLOXYISOOXAZOLE DERIVATIVES, THEIR PREPARATION AND INSECTICIDAL COMPOSITIONS CONTAINING THEM SANKYO COMPANY LIMITED (JP) 1984-09-05 EP claimed
US-20250066341-A1 CYCLOHEXANE ACID DERIVATIVES AS LPA RECEPTOR INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2025-02-27 US disclosed
CN-117986215-A 2-Phenyl-4-acyl benzofurans, preparation and application thereof 中国医学科学院药物研究所 2024-05-07 CN disclosed
US-20240122180-A1 FUNGICIDAL HALOMETHYL KETONES AND HYDRATES AND THEIR MIXTURES FMC CORPORATION 2024-04-18 US disclosed
US-20240090503-A1 FUNGICIDAL OXADIAZOLES AND THEIR MIXTURES FMC CORPORATION 2024-03-21 US disclosed
US-4891363-A PLATELET ACTIVATING FACTOR ANTAGONISTS SANKYO COMPANY LIMITED (JP) 1990-01-02 US disclosed
EP-0251827-A2 New cyclic ether derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-01-07 EP disclosed
EP-0124160-B1 A PROCESS FOR THE PREPARATION OF CARBOXYLIC ACIDS AND/OR ESTERS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-09-17 EP disclosed
EP-0124160-A1 A process for the preparation of carboxylic acids and/or esters SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1984-11-07 EP disclosed