⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL61023 | 0.79 | — | — | |
| SCHEMBL9580935 | 0.76 | — | — | |
| SCHEMBL18732731 | 0.62 | — | — | |
| SCHEMBL8619869 | 0.62 | — | — | |
| SCHEMBL20928053 | 0.62 | — | — | |
| SCHEMBL22634 | 0.62 | — | — | |
| SCHEMBL9247391 | 0.60 | — | — | |
| SCHEMBL3024974 | 0.60 | ALDH1A1 (0.50) | — | |
| SCHEMBL1470832 | 0.60 | — | — | |
| Cyclopentane SCHEMBL22534486 | 0.59 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113728070-B | Ultraviolet absorber excellent in heat resistance and long-wavelength absorption | 三吉油脂株式会社 | 2024-03-08 | — | — | CN | disclosed |
| CN-111836816-B | Aniline derivatives and use thereof | 日产化学株式会社 | 2023-12-19 | — | — | CN | disclosed |
| CN-116193960-A | Aniline derivatives and use thereof | 日产化学工业株式会社 | 2023-05-30 | — | — | CN | disclosed |
| CN-111492497-B | Charge-transporting varnish and charge-transporting film | 日产化学株式会社 | 2023-05-26 | — | — | CN | disclosed |
| WO-2023070645-A1 | GRAPHENE-SILANE TREATING AGENT AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 湖南金裕环保科技有限公司 | 2023-05-04 | — | — | WO | disclosed |
| CN-113943936-B | Graphene-silane treating agent, preparation method and application thereof | 湖南金裕环保科技有限公司 | 2023-01-17 | — | — | CN | disclosed |