⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL459598 | 0.79 | — | — | |
| SCHEMBL1840553 | 0.73 | — | — | |
| SCHEMBL890854 | 0.73 | — | — | |
| SCHEMBL24150887 | 0.69 | — | — | |
| SCHEMBL8521435 | 0.69 | — | — | |
| SCHEMBL582020 | 0.63 | — | — | |
| SCHEMBL4389610 | 0.61 | — | — | |
| SCHEMBL331425 | 0.60 | — | — | |
| SCHEMBL332204 | 0.60 | — | — | |
| SCHEMBL525450 | 0.60 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115073707-A | Xylylene diisocyanate composition and preparation method and application thereof | 万华化学集团股份有限公司 | 2022-09-20 | — | — | CN | disclosed |
| CN-112661930-B | Xylylene diisocyanate composition and optical resin | 万华化学集团股份有限公司 | 2022-08-05 | — | — | CN | disclosed |
| CN-111138617-B | Polyurethane optical material resin and preparation method thereof | 万华化学集团股份有限公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-114031744-A | Diisocyanate carbomethoxycyclohexane composition, modified composition thereof and preparation method | 万华化学集团股份有限公司 | 2022-02-11 | — | — | CN | disclosed |
| CN-113980238-A | Xylylene diisocyanate composition and preparation method and application thereof | 万华化学集团股份有限公司 | 2022-01-28 | — | — | CN | disclosed |
| CN-112661930-A | Xylylene diisocyanate composition and optical resin | 万华化学集团股份有限公司 | 2021-04-16 | — | — | 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-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 |
| CN-104725593-B | Composition for optical material and use its optical material | 三菱瓦斯化学株式会社 | 2017-10-20 | — | — | CN | disclosed |