⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1470687 | 0.82 | — | — | |
| SCHEMBL332153 | 0.82 | — | — | |
| SCHEMBL779294 | 0.82 | — | — | |
| SCHEMBL17512161 | 0.79 | — | — | |
| Iodide SCHEMBL8508952 | 0.79 | — | — | |
| SCHEMBL1867473 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL9183806 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL15908558 | 0.78 | — | — | |
| SCHEMBL31309511 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL1402297 | 0.76 | — | — |
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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113557256-B | Polymerizable composition for optical material, polymerizable prepolymer composition for optical material, cured product, and method for producing optical material | 三井化学株式会社 | 2023-07-25 | — | — | CN | claimed |
| US-20160053044-A1 | POLYTHIOURETHANE-BASED CASTING RESIN HAVING HIGH FRACTURE RESISTANCE AND LOW SPECIFIC WEIGHT | BRUNO BOCK CHEMISCHE FABRIK GMBH & CO. KG (DE) | 2016-02-25 | — | — | US | claimed |
| CN-118159876-A | Method for producing optical member and cured product | 三井化学株式会社 | 2024-06-07 | — | — | CN | 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-117642454-A | Curable resin composition | 纳美仕有限公司 | 2024-03-01 | — | — | CN | disclosed |
| CN-117616067-A | Curable resin composition | 纳美仕有限公司 | 2024-02-27 | — | — | 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 |
| CN-117396531-A | Polyisocyanate composition, polymerizable composition, resin, molded article, optical element, and lens | 三井化学株式会社 | 2024-01-12 | — | — | CN | disclosed |
| CN-114031744-B | Bis (isocyanatomethyl) cyclohexane compositions, modified compositions thereof, and methods of making | 万华化学集团股份有限公司 | 2023-12-19 | — | — | CN | disclosed |
| CN-113692550-B | Optical material, polymerizable composition for optical material, cured product, plastic lens, and method for applying optical material | 三井化学株式会社 | 2023-11-03 | — | — | CN | disclosed |
| CN-111138617-A | Polyurethane optical material resin and preparation method thereof | 万华化学集团股份有限公司 | 2020-05-12 | — | — | CN | disclosed |
| CN-110959020-A | Compositions, their preparation and their use | 科思创德国股份有限公司 | 2020-04-03 | — | — | CN | disclosed |
| CN-110857385-A | Composition and preparation method and application thereof | 科思创德国股份有限公司 | 2020-03-03 | — | — | CN | disclosed |
| CN-106414538-B | Composition for producing transparent polythiourethane bodies | 科思创德国股份有限公司 | 2020-02-28 | — | — | CN | disclosed |
| CN-110643010-A | Isocyanate composition and optical resin prepared by using same | 万华化学集团股份有限公司 | 2020-01-03 | — | — | CN | disclosed |
| WO-2019175344-A1 | STORAGE-STABLE PIGMENTED FORMULATIONS CONTAINING ISOCYANATE GROUPS AND USE THEREOF | COVESTRO DEUTSCHLAND AG (DE) | 2019-09-19 | — | — | WO | disclosed |
| CN-101910275-B | Additive for polymerizable composition, polymerizable composition containing the same, and use of the polymerizable composition | MITSUI CHEMICALS INC | 2013-06-05 | — | — | CN | disclosed |
| CN-102633980-A | Composition for optical material and optical material using same | MITSUBISHI GAS CHEMICAL CO | 2012-08-15 | — | — | CN | disclosed |
| CN-101910275-A | Additive for polymerizable composition, polymerizable composition containing the same, and use of the polymerizable composition | MITSUI CHEMICALS INC | 2010-12-08 | — | — | CN | disclosed |