SCHEMBL231493

SCHEMBL231493

CC1CCC(CN=C=O)C(N=C=O)C1

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
SCHEMBL7763834 0.86
SCHEMBL5431422 0.82
SCHEMBL10604820 0.80
SCHEMBL10604908 0.79
SCHEMBL10606893 0.78
SCHEMBL10606878 0.75 CYP1A2 (0.33)
SCHEMBL48381 0.75 ALDH1A1 (0.34)
SCHEMBL571423 0.74 ALDH1A1 (0.40)
SCHEMBL131130 0.74 ALDH1A1 (0.35)
SCHEMBL3890936 0.74 ALDH1A1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110202-A1 MULTI-COMPONENT RESIN SYSTEM COMPRISING ISOCYANATE, DMTDA AND DETDA HILTI AKTIENGESELLSCHAFT (LI) 2024-05-30 WO claimed
WO-2024110203-A1 MULTI-COMPONENT RESIN SYSTEM COMPRISING AN ISOCYANATE MIXTURE HILTI AKTIENGESELLSCHAFT (LI) 2024-05-30 WO claimed
US-20240174910-A1 ISOCYANATE-AMINE-BASED CHEMICAL ANCHOR WITH IMPROVED PERFORMANCE, AND USE THEREOF HILTI AKTIENGESELLSCHAFT (LI) 2024-05-30 US claimed
US-20240174569-A1 ISOCYANATE-AMINE-BASED CHEMICAL ANCHOR WITH IMPROVED STORAGE STABILITY, AND USE THEREOF HILTI AKTIENGESELLSCHAFT (LI) 2024-05-30 US claimed
EP-4375263-A1 MULTICOMPONENT RESIN SYSTEM COMPRISING ISOCYANATE, DMTA AND DETDA Hilti Aktiengesellschaft (LI) 2024-05-29 EP claimed
EP-4375262-A1 MULTICOMPONENT RESIN SYSTEM COMPRISING AN ISOCYANATE MIXTURE Hilti Aktiengesellschaft (LI) 2024-05-29 EP claimed
EP-4308520-A1 CHEMICAL WALL PLUG ON ISOCYANATE-AMINE BASIS WITH IMPROVED STRENGTH, AND USE THEREOF Hilti Aktiengesellschaft (LI) 2024-01-24 EP claimed
EP-4308518-A1 CHEMICAL WALL PLUG ON ISOCYANATE-AMINE BASIS WITH IMPROVED STRENGTH, AND USE THEREOF Hilti Aktiengesellschaft (LI) 2024-01-24 EP claimed
EP-4308519-A1 CHEMICAL WALL PLUG ON ISOCYANATE-AMINE BASIS WITH IMPROVED STORAGE STABILITY, AND USE THEREOF Hilti Aktiengesellschaft (LI) 2024-01-24 EP claimed
EP-3481885-B1 HIGH-SOLIDS CONTENT SOLVENT-BASED ADHESIVE COMPOSITIONS AND METHODS OF MAKING SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2023-09-13 EP claimed
EP-1031589-B1 Supramolecular compound DSM IP ASSETS BV (NL) 2005-08-24 EP claimed
EP-0822211-B1 3,5-Dimethyl-1,2,4-triazole-blocked polyisocyanates BAYER MATERIALSCIENCE AG (DE) 2004-03-03 EP claimed
US-6416686-B2 Polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 2002-07-09 US claimed
US-20020007036-A1 High-functionality polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 2002-01-17 US claimed
US-20010025096-A1 Polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 2001-09-27 US claimed
EP-1134247-A2 Highfunctionality polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 EP claimed
EP-1134246-A2 Polyisocyanate BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 EP claimed
EP-1031589-A1 Supramolecular compound DSM N.V. (NL) 2000-08-30 EP claimed
EP-0741763-B1 PROCESS FOR THE PREPARATION OF A MODIFIED POLYMER FOR POWDER PAINTS DSM NV (NL) 1998-08-12 EP claimed
EP-0822211-A1 3,5-Dimethyl-1,2,4-triazole-blocked polyisocyanates BAYER AG (DE) 1998-02-04 EP claimed