SCHEMBL459983

SCHEMBL459983

O=C=NCc1cc(Cl)c(Cl)c(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
SCHEMBL29384068 1.00
SCHEMBL8819091 0.83 ALDH1A1 (0.41)
SCHEMBL28940684 0.81 CYP3A4 (0.39)
SCHEMBL21175624 0.78 CYP3A4 (0.31)
SCHEMBL29387410 0.78 MAPK1 (0.36)
SCHEMBL460729 0.78 MAPK1 (0.36)
SCHEMBL28285795 0.76 MAPK1 (0.39)
SCHEMBL2732258 0.76 TSHR (0.38)
SCHEMBL10929233 0.76 MAPK1 (0.34)
SCHEMBL8819048 0.75 ALDH1A1 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4775733-A POLYTHIOURETHANES MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-10-04 US claimed
EP-4731688-A1 METHOD FOR THE PRODUCTION OF A HYDROXYL-GROUP TERMINATED OXAZOLIDINONE COMPOSITION Covestro Deutschland AG (DE) 2026-04-29 EP disclosed
US-20260071091-A1 SELF-HEALING TRANSPARENT COATING COMPOSITION USING SUNLIGHT AND APPLICATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2026-03-12 US disclosed
US-12559586-B2 Compositions containing uretdione groups crosslinking at low temperatures COVESTRO DEUTSCHLAND AG (DE) 2026-02-24 US disclosed
EP-4688893-A1 EPOXY-GROUP TERMINATED AND ISOCYANURATE-GROUP CONTAINING POLYOXAZOLIDINONES AND THEIR USE IN COATING COMPOSITIONS Covestro Deutschland AG (DE) 2026-02-11 EP disclosed
US-12503575-B2 Fine hollow particles comprising melamine-based resin KAGOSHIMA UNIVERSITY (JP) 2025-12-23 US disclosed
WO-2025224257-A1 SINGLE-COMPONENT COATING MATERIAL FOR FOOD CONTAINERS COVESTRO DEUTSCHLAND AG (DE) 2025-10-30 WO disclosed
EP-4640732-A1 ONE-COMPONENT SYSTEM FOR COATINGS Covestro Deutschland AG (DE) 2025-10-29 EP disclosed
EP-4640731-A1 ONE-COMPONENT COATING COMPOSITION FOR FOOD CONTAINERS Covestro Deutschland AG (DE) 2025-10-29 EP disclosed
EP-4357382-B1 IONICALLY MODIFIED POLYISOCYANATE MIXTURE COVESTRO DEUTSCHLAND AG (DE) 2025-07-23 EP disclosed
US-5652321-A Composition for optical materials and use thereof MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-29 US disclosed
EP-0713105-A2 Composition for optical materials and use thereof MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-05-22 EP disclosed
EP-0390218-B1 Anti-reflection optical element HOYA CORP (JP) 1995-08-09 EP disclosed
US-5306799-A High refractive index plastic lens and composition therefor MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-26 US disclosed
EP-0586091-A2 High refractive index plastic lens and composition therefor MITSUI TOATSU CHEMICALS, Inc. (JP) 1994-03-09 EP disclosed
US-5181141-A Good mechanical and chemical properties HOYA CORPORATION (JP) 1993-01-19 US disclosed
EP-0390218-A2 Anti-reflection optical element HOYA CORPORATION (JP) 1990-10-03 EP disclosed
EP-0235743-B1 HIGH-REFRACTIVITY PLASTIC LENS RESIN MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-01-31 EP disclosed
US-4775733-A POLYTHIOURETHANES MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-10-04 US disclosed
EP-0235743-A1 High-refractivity plastic lens resin MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-09-09 EP disclosed