SCHEMBL374862

SCHEMBL374862

O=C=NCC1CC(CN=C=O)CC(CN=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
SCHEMBL9562483 1.00
SCHEMBL11460874 0.89
SCHEMBL21020045 0.88
SCHEMBL1069198 0.85 ALDH1A1 (0.31)
SCHEMBL1069199 0.85 ALDH1A1 (0.31)
SCHEMBL1081630 0.85 ALDH1A1 (0.31)
SCHEMBL19751822 0.85 ALDH1A1 (0.31)
SCHEMBL43488 0.85 ALDH1A1 (0.31)
SCHEMBL20462167 0.85 ALDH1A1 (0.31)
SCHEMBL44332 0.82 ALDH1A1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350190-A Preparation method of polyisocyanate with adjustable viscosity 山东新和成精化科技有限公司 2025-01-24 CN claimed
CN-119019289-A Method for reducing acidity of isocyanate and adsorbent used in method 山东新和成精化科技有限公司 2024-11-26 CN claimed
CN-118384673-A Post-treatment method and post-treatment system for preparing isocyanate by gas phase method 山东新和成精化科技有限公司 2024-07-26 CN claimed
CN-118307444-A Method for reducing chlorine-containing impurities in isocyanate 山东新和成精化科技有限公司 2024-07-09 CN claimed
CN-117810531-A Electrolyte suitable for Prussian blue sodium ion battery 上海汉行科技有限公司 2024-04-02 CN claimed
EP-3356324-B1 METHOD FOR MAKING ISOCYANATES COVESTRO INTELLECTUAL PROPERTY GMBH & CO KG (DE) 2022-10-05 EP claimed
US-10280135-B2 Method for producing isocyanates COVESTRO DEUTSCHLAND AG (DE) 2019-05-07 US claimed
US-20180265457-A1 METHOD FOR PRODUCING ISOCYANATES COVESTRO DEUTSCHLAND AG (DE) 2018-09-20 US claimed
EP-3356324-A1 METHOD FOR PRODUCING ISOCYANATES Covestro Deutschland AG (DE) 2018-08-08 EP claimed
EP-0530757-B1 Polymer for optical products and process for preparation thereof HOYA CORP (JP) 1997-05-21 EP claimed
US-5294666-A Polythiourethanes with 2,5-dimethyl-1,4-dithiane groups HOYA CORPORATION (JP) 1994-03-15 US claimed
US-5240523-A As curative for polyether or polyester elastomer THIOKOL CORPORATION (US) 1993-08-31 US claimed
EP-0530757-A1 Polymer for optical products and process for preparation thereof HOYA CORPORATION (JP) 1993-03-10 EP claimed
US-4389519-A Composition for polyurethane adhesives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-06-21 US claimed
EP-0053359-A1 Method of bonding films with a polyurethane adhesive Takeda Chemical Industries, Ltd. (JP) 1982-06-09 EP claimed
JP-6256459-A None JP disclosed
JP-7278250-A None JP disclosed
EP-0053359-A1 Method of bonding films with a polyurethane adhesive Takeda Chemical Industries, Ltd. (JP) 1982-06-09 EP disclosed
EP-0021067-A1 Triisocyanates, a process for their production, their use for the production of polyurethanes and a coating composition comprising these polyurethanes Takeda Chemical Industries, Ltd. (JP) 1981-01-07 EP disclosed
EP-0019893-A1 Novel triamines and method for production thereof Takeda Chemical Industries, Ltd. (JP) 1980-12-10 EP disclosed