SCHEMBL643585

SCHEMBL643585

CCCC(CC)(CCCN=C=O)CN=C=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
SCHEMBL134292 0.93 NAAA (0.31)
SCHEMBL8983679 0.90 NAAA (0.36)
SCHEMBL27458764 0.86
SCHEMBL28069491 0.85
SCHEMBL8968713 0.79
SCHEMBL28148095 0.79
SCHEMBL4437148 0.77
SCHEMBL8966768 0.76
SCHEMBL21175612 0.76
SCHEMBL14503156 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846367-B1 ALIPHATIC, CYCLOALIPHATIC OR (CYCLO)ALIPHATIC DIISOCYANATES THAT ARE STABLE IN STORAGE EVONIK DEGUSSA GMBH (DE) 2016-03-09 EP claimed
EP-1846367-A1 ALIPHATIC, CYCLOALIPHATIC OR (CYCLO)ALIPHATIC DIISOCYANATES THAT ARE STABLE IN STORAGE Degussa GmbH (DE) 2007-10-24 EP claimed
WO-2006058807-A1 ALIPHATIC, CYCLOALIPHATIC OR (CYCLO)ALIPHATIC DIISOCYANATES THAT ARE STABLE IN STORAGE DEGUSSA GMBH (DE) 2006-06-08 WO claimed
US-20250019483-A1 PREPARATION OF POLYISOCYANATES CONTAINING IMINOOXADIAZINEDIONE GROUPS AND THEIR USE BASF SE (DE) 2025-01-16 US disclosed
EP-4433519-A1 PREPARATION OF POLYISOCYANATES CONTAINING IMINOOXADIAZINEDIONE GROUPS AND THEIR USE BASF SE (DE) 2024-09-25 EP disclosed
CN-118613517-A Preparation and use of polyisocyanates containing iminooxadiazinedione groups 巴斯夫欧洲公司 2024-09-06 CN disclosed
WO-2024165361-A1 PREPARATION OF POLYISOCYANATES CONTAINING IMINOOXADIAZINEDIONE GROUPS AND THEIR USE BASF SE (DE) 2024-08-15 WO disclosed
CN-118251435-A Preparation and use of polyisocyanates containing iminooxadiazinedione groups 巴斯夫欧洲公司 2024-06-25 CN disclosed
WO-2023138938-A1 PREPARATION OF POLYISOCYANATES CONTAINING IMINOOXADIAZINEDIONE GROUPS AND THEIR USE BASF SE (DE) 2023-07-27 WO disclosed
WO-2023088793-A1 PREPARATION OF POLYISOCYANATES CONTAINING IMINOOXADIAZINEDIONE GROUPS AND THEIR USE BASF SE (DE) 2023-05-25 WO disclosed
EP-3617243-A1 METHOD FOR THE PRODUCTION OF POLYISOCYANATES COMPRISING ISOCYANURATE GROUPS AND THEIR USE BASF SE (DE) 2020-03-04 EP disclosed
EP-0643042-B1 Storage-stable polyisocyanate mixtures prepared by phosgen-free processes, a process for their preparation and their use BASF AG (DE) 1996-07-17 EP disclosed
US-5489663-A TRIMERIZING ALIPHATIC AND/OR CYCLOALIPHATIC DIISOCYANATES USING TETRAALKYLAMMONIUM ALKYL CARBONATE OR MIXTURES WITH QUATERNARY AMMONIOALKYL CARBONATE CATALYSTS, DEACTIVATING CATALYST BASF AKTIENGESELLSCHAFT (DE) 1996-02-06 US disclosed
EP-0668271-A1 Process for the preparation of isocyanurate-group containing polyisocyanates BASF Aktiengesellschaft (DE) 1995-08-23 EP disclosed
US-5436336-A Preparation of isocyanurate- and/or uretidone-containing polysiocyanates having a reduced color index and improved shelf life, and products prepared by this method BASF AKTIENGESELLSCHAFT (DE) 1995-07-25 US disclosed
EP-0645372-A1 Stable polyisocyanate mixtures prepared by phosgen-free processes and a process for their preparation BASF Aktiengesellschaft (DE) 1995-03-29 EP disclosed
EP-0643042-A1 Storage-stable polyisocyanate mixtures prepared by phosgen-free processes, a process for their preparation and their use BASF Aktiengesellschaft (DE) 1995-03-15 EP disclosed
EP-0643087-A1 Process for producing isocyanurate and uretdione groups containing polyisocyanate mixtures with low colour values BASF Aktiengesellschaft (DE) 1995-03-15 EP disclosed
EP-0630928-A2 Process for the preparation of isocyanurate and/or urethdione groups containing polyisocyanates with a reduced colour number and an improved storage stability, and the products prepared in this way BASF Aktiengesellschaft (DE) 1994-12-28 EP disclosed
EP-0615993-A1 Curing agent for two-component polyurethane systems, especiallytwo-component polyurethane lacquers and a process for its production BASF Aktiengesellschaft (DE) 1994-09-21 EP disclosed