⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22472105 | 0.56 | — | — | |
| SCHEMBL461084 | 0.53 | — | — | |
| SCHEMBL591879 | 0.52 | — | — | |
| SCHEMBL9057410 | 0.48 | — | — | |
| SCHEMBL22361239 | 0.48 | — | — | |
| SCHEMBL5180899 | 0.46 | — | — | |
| SCHEMBL17232128 | 0.46 | — | — | |
| SCHEMBL1146963 | 0.45 | — | — | |
| SCHEMBL5671255 | 0.45 | — | — | |
| SCHEMBL2322084 | 0.45 | — | — |
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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240166795-A1 | XYLYLENE DIISOCYNATE COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF | WANHUA CHEMICAL GROUP CO., LTD. (CN) | 2024-05-23 | — | — | US | disclosed |
| WO-2024103321-A1 | ISOCYANATE COMPOSITION, MODIFIED ISOCYANATE, POLYURETHANE RESIN AND OPTICAL MATERIAL | 万华化学集团股份有限公司 | 2024-05-23 | — | — | WO | disclosed |
| EP-4306509-A1 | XYLYLENE DIISOCYNATE COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF | Wanhua Chemical Group Co., Ltd (CN) | 2024-01-17 | — | — | EP | disclosed |
| WO-2023210418-A1 | THERMOSETTING COMPOSITION, CURED PRODUCT, AND OPTICAL MEMBER | 富士フイルム株式会社 | 2023-11-02 | — | — | WO | disclosed |
| EP-2123695-B1 | METAL THIETANE COMPOUND, POLYMERIZABLE COMPOSITION COMPRISING THE COMPOUND, RESIN, AND USE OF THE RESIN | MITSUI CHEMICALS INC (JP) | 2021-06-23 | — | — | EP | disclosed |
| WO-2021057196-A1 | ISOCYANATE COMPOSITION, AND OPTICAL RESIN PREPARED USING SAME | 万华化学集团股份有限公司 | 2021-04-01 | — | — | WO | disclosed |
| EP-2497791-B1 | METHOD FOR PRODUCING INTERNAL MOLD RELEASE AGENT FOR OPTICAL MATERIAL, INTERNAL MOLD RELEASE AGENT FOR OPTICAL MATERIAL, AND POLYMERIZABLE COMPOSITION INCLUDING THE SAME | MITSUI CHEMICALS INC (JP) | 2020-05-13 | — | — | EP | disclosed |
| US-10472435-B2 | Polymerizable composition and novel alkyne compound | MITSUI CHEMICALS, INC. (JP) | 2019-11-12 | — | — | US | disclosed |
| US-10106660-B2 | Film containing a resin having a thiourethane bond and uses thereof | MITSUI CHEMICALS, INC. (JP) | 2018-10-23 | — | — | US | disclosed |
| EP-2660260-B1 | COMPOSITION FOR OPTICAL MATERIAL | MITSUBISHI GAS CHEMICAL CO (JP) | 2018-09-12 | — | — | EP | disclosed |
| EP-2014700-A1 | POLYMERIZABLE COMPOSITION, RESIN USING THE SAME AND OPTICAL COMPONENT | Mitsui Chemicals, Inc. (JP) | 2009-01-14 | — | — | EP | disclosed |
| EP-1988110-A1 | INTERNAL MOLD RELEASE AGENT FOR PRODUCTION OF POLYTHIOURETHANE OPTICAL MATERIAL | Mitsui Chemicals, Inc. (JP) | 2008-11-05 | — | — | EP | disclosed |
| EP-1988109-A1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL | Mitsui Chemicals, Inc. (JP) | 2008-11-05 | — | — | EP | disclosed |
| US-7396900-B2 | Thiourethane-based optical material | MITSUI CHEMICALS, INC. (JP) | 2008-07-08 | — | — | US | disclosed |
| US-20070203318-A1 | Polyurethanes Polymerizable Composition And Method For Producing Optical Resin Of The Same | MITSUI CHEMICALS, INC. (JP) | 2007-08-30 | — | — | US | disclosed |
| US-7244808-B2 | Thiourethane-based optical material | MITSUI CHEMICALS, INC. (JP) | 2007-07-17 | — | — | US | disclosed |
| US-20070149822-A1 | Thiourethane-based optical material | MITSUI CHEMICALS, INC. (JP) | 2007-06-28 | — | — | US | disclosed |
| EP-1746118-A1 | POLYURETHANE POLYMERIZABLE COMPOSITION AND METHOD FOR PRODUCING OPTICAL RESIN COMPOSED OF SAME | Mitsui Chemicals, Inc. (JP) | 2007-01-24 | — | — | EP | disclosed |
| US-20050131203-A1 | Thiourethane-based optical material | MITSUI CHEMICALS, INC. (JP) | 2005-06-16 | — | — | US | disclosed |
| EP-1505094-A1 | THIOURETHANE-BASED OPTICAL MATERIAL | Mitsui Chemicals, Inc. (JP) | 2005-02-09 | — | — | EP | disclosed |