SCHEMBL540055

SCHEMBL540055

O=C=NC12CC3CC(C1)CC(N=C=O)(C3)C2

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
SCHEMBL9186548 0.89
SCHEMBL31226196 0.86 THRB (0.39)
SCHEMBL31226224 0.86 DYRK3 (0.32)
SCHEMBL6229807 0.86 PKM (0.42)
SCHEMBL31226298 0.86 TSHR (0.38)
SCHEMBL5607930 0.86 PKM (0.42)
SCHEMBL20733439 0.85 SIGMAR1 (0.33)
SCHEMBL75776 0.85 SIGMAR1 (0.33)
SCHEMBL1150514 0.85 SIGMAR1 (0.33)
SCHEMBL6227957 0.81 PKM (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4559946-A1 BLOCKED POLYISOCYANATES Covestro Deutschland AG (DE) 2025-05-28 EP claimed
CN-120025524-A Blocked polyisocyanates 科思创德国股份有限公司 2025-05-23 CN claimed
US-20250163207-A1 BLOCKED POLYISOCYANATES COVESTRO DEUTSCHLAND AG (DE) 2025-05-22 US claimed
US-11965056-B2 Drying agent for moisture-curing compositions COVESTRO INTELLECTUAL PROPERTY GMBH & CO. KG (DE) 2024-04-23 US claimed
EP-3129353-B1 METHOD FOR MANUFACTURING XYLYLENE DIISOCYANATES IN THE GASEOUS PHASE COVESTRO DEUTSCHLAND AG (DE) 2024-02-28 EP claimed
US-20210317253-A1 DRYING AGENT FOR MOISTURE-CURING COMPOSITIONS COVESTRO DEUTSCHLAND AG (DE) 2021-10-14 US claimed
US-20210309793-A1 DRYING AGENT FOR MOISTURE-CURING COMPOSITIONS COVESTRO DEUTSCHLAND AG (DE) 2021-10-07 US claimed
EP-3841138-A1 DRYING AGENT FOR MOISTURE-CURING COMPOSITIONS Covestro Intellectual Property GmbH & Co. KG (DE) 2021-06-30 EP claimed
CN-112673037-A Desiccant for moisture-curing compositions 科思创知识产权两合公司 2021-04-16 CN claimed
CN-112638978-A Desiccant for moisture-curing compositions 科思创知识产权两合公司 2021-04-09 CN claimed
CN-112210336-A Low-temperature-resistant polyurethane adhesive and preparation method thereof 上海吒吒新材料科技有限公司 2021-01-12 CN claimed
WO-2020038804-A1 DRYING AGENT FOR MOISTURE-CURING COMPOSITIONS COVESTRO DEUTSCHLAND AG (DE) 2020-02-27 WO claimed
EP-3613785-A1 DRYING AGENT FOR MOISTURE-CURABLE COMPOSITIONS Covestro Deutschland AG (DE) 2020-02-26 EP claimed
EP-3613786-A1 DRYING AGENT FOR MOISTURE-CURABLE COMPOSITIONS Covestro Deutschland AG (DE) 2020-02-26 EP claimed
EP-2700665-B1 Method for trimerization of cycloaliphatic diisocyanates COVESTRO DEUTSCHLAND AG (DE) 2018-12-05 EP claimed
WO-2010112946-A1 ADAMANTANE BISUREA DERIVATIVES, METHOD OF PREPARATION AND APPLICATION IN ANION SENSING RUDJER BOSKOVIC INSTITUTE (HR) 2010-10-07 WO claimed
US-20260139113-A1 Solid Surface Materials Based on Reaction Mixtures with Two Kind of Blowing Agents COVESTRO DEUTSCHLAND AG (DE) 2026-05-21 US disclosed
US-12617955-B2 Additive production process with a thermoplastic radically cross-linkable construction material STRATASYS, INC. (US) 2026-05-05 US disclosed
US-6468487-B1 SUCH AS N-HYDROXYPHTHALIMIDE; DIRECTLY AND EFFICIENTLY REACTING ADAMANTANE WITH NITROGEN OXIDE OR WITH CARBON MONOXIDE AND OXYGEN DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-22 US disclosed
EP-0897747-A1 NITRATION OR CARBOXYLATION CATALYSTS Daicel Chemical Industries, Ltd. (JP) 1999-02-24 EP disclosed