SCHEMBL420892

SCHEMBL420892

CC1(N=C=O)C=CC=CC1(C)N=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
SCHEMBL7522715 0.67
SCHEMBL9939311 0.61 TSHR (0.33)
SCHEMBL5702732 0.60
SCHEMBL10664284 0.59
SCHEMBL8927140 0.59 TSHR (0.32)
SCHEMBL2567856 0.57 TSHR (0.30)
SCHEMBL730124 0.56
SCHEMBL30976990 0.56
SCHEMBL10928090 0.56
SCHEMBL29370473 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4638625-A1 THERMOPLASTIC POLYURETHANE BASED COATING COMPOSITION BASF SE (DE) 2025-10-29 EP claimed
EP-4446354-A1 THERMOPLASTIC POLYURETHANE BASED COATING COMPOSITION BASF SE (DE) 2024-10-16 EP claimed
WO-2024137498-A1 THERMOPLASTIC POLYURETHANE BASED COATING COMPOSITION BASF SE (DE) 2024-06-27 WO claimed
CN-113980238-B Benzenedimethylene diisocyanate composition and preparation method and application thereof 万华化学集团股份有限公司 2024-02-27 CN claimed
CN-116970144-A Xylylene diisocyanate composition and modified composition thereof, polyurethane resin and optical material 万华化学集团股份有限公司 2023-10-31 CN claimed
CN-115073707-B Benzenedimethylene diisocyanate composition and preparation method and application thereof 万华化学集团股份有限公司 2023-09-26 CN claimed
CN-115073707-A Xylylene diisocyanate composition and preparation method and application thereof 万华化学集团股份有限公司 2022-09-20 CN claimed
WO-2022188825-A1 XYLYLENE DIISOCYNATE COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF 万华化学集团股份有限公司 2022-09-15 WO claimed
CN-112661930-B Xylylene diisocyanate composition and optical resin 万华化学集团股份有限公司 2022-08-05 CN claimed
CN-113980238-A Xylylene diisocyanate composition and preparation method and application thereof 万华化学集团股份有限公司 2022-01-28 CN claimed
CN-112661930-A Xylylene diisocyanate composition and optical resin 万华化学集团股份有限公司 2021-04-16 CN claimed
US-6710095-B2 FOAMS HAVING THERMAL CONDUCTIVITY, LOWER FLAMMABILITY, AND HIGHER STABILITY OF THE EMULSIFIED LIQUID REACTANTS PRIOR TO POLYMERIZATION ARTEVA NORTH AMERICA S.A.R.L. (CH) 2004-03-23 US claimed
US-20030149123-A1 Polyol containing glycol adduct for use in producing rigid foam INVISTA NORTH AMERICA S.A.R.L. 2003-08-07 US claimed
US-4322327-A Slow-curing water-curable urethane prepolymer composition MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1982-03-30 US claimed
US-20260085141-A1 MODIFIED POLYMER, COMPOSITION, COATING FILM, AND MULTILAYER BODY DAIKIN INDUSTRIES, LTD. (JP) 2026-03-26 US disclosed
EP-3309189-B1 POLYISOCYANATE COMPOSITION, POLYURETHANE RESIN, TWO-LIQUID CURABLE POLYURETHANE COMPOSITION, AND COATING MATERIAL MITSUI CHEMICALS INC (JP) 2026-03-04 EP disclosed
US-12528901-B2 Modified polymer, composition, coating film and multilayer body DAIKIN FLUOROCHEMICALS (CHINA) CO., LTD. (CN) 2026-01-20 US disclosed
US-4184024-A Polyurethanes prepared from polyols from 2,3-morpholinediones TEXACO DEVELOPMENT CORP. (US) 1980-01-15 US disclosed
US-4118422-A Polyols from 2,3-morpholinediones TEXACO DEVELOPMENT CORP. (US) 1978-10-03 US disclosed
US-4094828-A FROM A POLYISOCYANATE AND POLYOL COMPRISING AN ALLYL ALCOHOL-STYRENE COPOLYMER AND A POLYETHER TEXACO DEVELOPMENT CORPORATION (US) 1978-06-13 US disclosed