⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5889586 | 0.79 | — | — | |
| SCHEMBL331076 | 0.69 | NR1I2 (0.42) | — | |
| SCHEMBL15360430 | 0.69 | NR1I2 (0.42) | — | |
| SCHEMBL459710 | 0.68 | — | — | |
| SCHEMBL21409498 | 0.68 | — | — | |
| SCHEMBL1408658 | 0.65 | NR1I2 (0.38) | — | |
| SCHEMBL4135462 | 0.65 | — | — | |
| SCHEMBL2467086 | 0.63 | NR1I2 (0.36) | — | |
| SCHEMBL1408724 | 0.63 | NR1I2 (0.36) | — | |
| SCHEMBL6051709 | 0.61 | — | — |
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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-121574342-A | Benzenedimethylene diisocyanate composition, preparation method and application thereof | 万华化学集团股份有限公司 | 2026-02-27 | — | — | CN | disclosed |
| EP-4620947-A1 | ISOCYANATE COMPOSITION, MODIFIED ISOCYANATE, POLYURETHANE RESIN AND OPTICAL MATERIAL | Wanhua Chemical Group Co., Ltd. (CN) | 2025-09-24 | — | — | EP | disclosed |
| US-20250197555-A1 | ISOCYANATE COMPOSITION, MODIFIED ISOCYANATE, POLYURETHANE RESIN AND OPTICAL MATERIAL | WANHUA CHEMICAL GROUP CO., LTD. (CN) | 2025-06-19 | — | — | US | disclosed |
| CN-120136740-A | Isocyanate composition, modified isocyanate, polyurethane resin and optical material | 万华化学集团股份有限公司 | 2025-06-13 | — | — | CN | disclosed |
| CN-115894296-B | Isocyanate composition, modified isocyanate, polyurethane resin and optical material | 万华化学集团股份有限公司 | 2025-04-25 | — | — | CN | disclosed |
| CN-119822999-A | Benzenedimethylene diisocyanate composition, preparation method and application thereof | 万华化学集团股份有限公司 | 2025-04-15 | — | — | CN | 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 |
| CN-110643010-B | Isocyanate composition and optical resin prepared from same | 万华化学集团股份有限公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-117801222-A | Cyclohexane dimethylene diisocyanate composition, modified composition, polyurethane resin and optical resin | 万华化学集团股份有限公司 | 2024-04-02 | — | — | CN | disclosed |
| 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 | disclosed |
| EP-2036951-A1 | POLYMERIZABLE COMPOSITION, RESIN USING THE SAME, OPTICAL COMPONENT AND LENS | Mitsui Chemicals, Inc. (JP) | 2009-03-18 | — | — | 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 |
| 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 |