⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4107155 | 0.97 | TRPA1 (0.32) | — | |
| SCHEMBL3699929 | 0.97 | TRPA1 (0.32) | — | |
| SCHEMBL4091772 | 0.97 | TRPA1 (0.32) | — | |
| SCHEMBL4099543 | 0.97 | TRPA1 (0.32) | — | |
| SCHEMBL4091572 | 0.97 | TRPA1 (0.32) | — | |
| SCHEMBL4110727 | 0.97 | TRPA1 (0.32) | — | |
| SCHEMBL4103458 | 0.97 | TRPA1 (0.32) | — | |
| SCHEMBL4099136 | 0.97 | TRPA1 (0.32) | — | |
| SCHEMBL3699926 | 0.97 | TRPA1 (0.32) | — | |
| SCHEMBL4110935 | 0.97 | TRPA1 (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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0003102-B1 | PROCESS FOR THE PREPARATION OF POLYISOCYANATES CONTAINING SULPHONIC ACID ALKYLESTER GROUPS AND THEIR USE AS A STARTING MATERIAL FOR THE PREPARATION OF POLYADDITION PRODUCTS | BAYER AG (DE) | 1981-02-25 | — | — | EP | claimed |
| WO-2023145203-A1 | POLYMER COMPOUND, REACTIVE COMPOUND, POLYMER CROSSLINKING AGENT, POLYMER MODIFIER, METHOD FOR FORMING A CROSSLINKED SECTION, METHOD FOR POLYMER MODIFICATION, AND METHOD FOR POLYMERIZING AND METHOD FOR DECOMPOSING POLYMER COMPOUND | 国立研究開発法人科学技術振興機構 | 2023-08-03 | — | — | WO | disclosed |
| CN-109790269-B | Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer | 旭化成株式会社 | 2022-06-14 | — | — | CN | disclosed |
| CN-113773508-A | Polyester/nylon composite material, preparation method and application thereof | 浙江大学 | 2021-12-10 | — | — | CN | disclosed |
| CN-112979917-A | Isocyanate composition, method for producing isocyanate composition, and method for producing isocyanate polymer | 旭化成株式会社 | 2021-06-18 | — | — | CN | disclosed |
| US-9926662-B2 | Water/oil repellant composition, article and process for producing article | ASAHI GLASS COMPANY, LIMITED (JP) | 2018-03-27 | — | — | US | disclosed |
| EP-3075813-B1 | WATER/OIL REPELLENT COMPOSITION, ARTICLE AND PROCESS FOR PRODUCING ARTICLE | ASAHI GLASS CO LTD (JP) | 2017-09-27 | — | — | EP | disclosed |
| CN-107083199-A | Adhesive layer formation composition | 株式会社日本触媒 | 2017-08-22 | — | — | CN | disclosed |
| US-9644052-B2 | Functionalized high cis-1,4-polybutadiene prepared using novel functionalizing agents | BRIDGESTONE CORPORATION (JP) | 2017-05-09 | — | — | US | disclosed |
| EP-3075813-A1 | WATER- AND OIL-REPELLENT COMPOSITION, ARTICLE AND PROCESS FOR PRODUCING ARTICLE | Asahi Glass Company, Limited (JP) | 2016-10-05 | — | — | EP | disclosed |
| WO-2002038615-A1 | FUNCTIONALIZED HIGH CIS-1,4-POLYBUTADIENE PREPARED USING NOVEL FUNCTIONALIZING AGENTS | BRIDGESTONE CORPORATION (JP) | 2002-05-16 | — | — | WO | disclosed |
| WO-2001034658-A1 | MODIFIED POLYMERS PREPARED WITH LANTHANIDE-BASED CATALYSTS | BRIDGESTONE CORPORATION (JP) | 2001-05-17 | — | — | WO | disclosed |
| EP-0378930-B1 | Cyclic urea derivative | NIPPON PAINT CO LTD (JP) | 1996-05-08 | — | — | EP | disclosed |
| US-5385985-A | Cyclic urea derivative | NIPPON PAINT CO., LTD. (JP) | 1995-01-31 | — | — | US | disclosed |
| US-5223588-A | In situ polymerization of rigid rod and matrix polymers | GENCORP INC. (US) | 1993-06-29 | — | — | US | disclosed |
| US-5068292-A | Reaction of monomers to form rigid polymer rods followed by reaction of matrix polymers in situ | GENCORP INC. (US) | 1991-11-26 | — | — | US | disclosed |
| EP-0378930-A1 | Cyclic urea derivative | NIPPON PAINT CO., LTD. (JP) | 1990-07-25 | — | — | EP | disclosed |
| EP-0302341-A2 | Isocyanato-acyl urethanes, their preparation and use | BAYER AG (DE) | 1989-02-08 | — | — | EP | disclosed |
| US-4518729-A | Solutions of isocyanato-isocyanurates in plasticizers for polyvinyl chloride, a process for their production and their use as adhesion-improving additives in coating compositions based on plasticized polyvinyl chloride | BAYER AKTIENGESELLSCHAFT (DE) | 1985-05-21 | — | — | US | disclosed |
| EP-0141295-A1 | Unsaturated ester isocyanates, process for their preparation and their utilization in the production of olefinically unsaturated oligourethanes | BAYER AG (DE) | 1985-05-15 | — | — | EP | disclosed |