SCHEMBL127085

SCHEMBL127085

O=C=NC(=O)Cl

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
SCHEMBL1669939 0.74
Bromide SCHEMBL11784068 0.71
Hydrochloric Acid SCHEMBL5693222 0.71
SCHEMBL471965 0.69
SCHEMBL11040930 0.69
SCHEMBL7827764 0.69
SCHEMBL27326340 0.69
SCHEMBL11245694 0.69
SCHEMBL28107207 0.67
SCHEMBL482641 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

Claimed or disclosed in 885 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114751894-A Preparation method of oral medicine for treating neocoronary pneumonia 苏州立新制药有限公司 2022-07-15 CN claimed
US-20100022415-A1 ACTIVE CARRIER, ITS PRODUCTION AND ITS USE AVICOR KET. (HU) 2010-01-28 US claimed
US-7592448-B2 Mono amine and diamine derivatives of CL-20 THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDON OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 2009-09-22 US claimed
EP-2080026-A1 ACTIVE CARRIER, ITS PRODUCTION AND ITS USE Avicor Kft. (HU) 2009-07-22 EP claimed
WO-2008023208-A1 ACTIVE CARRIER, ITS PRODUCTION AND ITS USE AVICOR KFT. (HU) 2008-02-28 WO claimed
US-7125995-B2 Substituted amidoalkyl uracils and their use as inhibitors of the poly(adp-ribose) synthetase (PARS) BAYER AKTIENGESELLSCHAFT (DE) 2006-10-24 US claimed
US-20060157174-A1 Mono amine and diamine derivatives of cl-20 DEFENCE, THE SECRETARY OF STATE FOR (GB) 2006-07-20 US claimed
EP-1597215-A1 MONO AMINE AND DIAMINE DERIVATIVES OF CL-20 THE SECRETARY OF STATE FOR DEFENCE (GB) 2005-11-23 EP claimed
US-20050159431-A1 Substituted alkyl uracils and thereof BAYER HEALTHCARE AG (DE) 2005-07-21 US claimed
US-20050075347-A1 Substituted amidoalkyl uracils and their use as inhibitors of the poly(adp-ribose) synthetase (pars) BAYER AKTIENGESELLSCHAFT (DE) 2005-04-07 US claimed
EP-0080106-B1 PROCESS FOR PREPARING N-SUBSTITUTED N-ISOCYANATOCARBONYL CARBAMATES BAYER AG (DE) 1985-10-16 EP claimed
EP-0037482-B1 3,4,5,6-TETRAHYDRO-1,2,4,6-THIATRIAZINE(3,5)DIONE-1,1-DIOXIDES, THEIR PREPARATION, HERBICIDES CONTAINING THEM, PROCESS FOR COMBATING GROWTH OF UNWANTED VEGETATION AND PROCESS FOR THE PREPARATION OF HERBICIDES BASF Aktiengesellschaft (DE) 1985-03-13 EP claimed
US-4482737-A CHLOROCARBONYL ISCOCYANATE, CARBAMATE, PESTCIDE INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1984-11-13 US claimed
EP-0100966-A1 Carbamic-acid esters, their preparation and their use in pest control BAYER AG (DE) 1984-02-22 EP claimed
EP-0055430-B1 N-(SULFENAMIDO)-ACYLISOCYANATES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS INTERMEDIATES BAYER AG (DE) 1983-10-26 EP claimed
EP-0080106-A1 Process for preparing N-substituted N-isocyanatocarbonyl carbamates BAYER AG (DE) 1983-06-01 EP claimed
US-4376735-A CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1983-03-15 US claimed
EP-0055430-A2 N-(sulfenamido)-acylisocyanates, process for their preparation and their use as intermediates BAYER AG (DE) 1982-07-07 EP claimed
EP-0037482-A2 3,4,5,6-Tetrahydro-1,2,4,6-thiatriazine(3,5)dione-1,1-dioxides, their preparation, herbicides containing them, process for combating growth of unwanted vegetation and process for the preparation of herbicides BASF Aktiengesellschaft (DE) 1981-10-14 EP claimed
US-3956468-A Process for the preparation of carbonyldiisocyanate BAYER AKTIENGESELLSCHAFT (DT) 1976-05-11 US claimed