⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL8376264 | 1.00 | ALDH1A1 (0.42) | — | |
| SCHEMBL2815 | 0.93 | — | — | |
| SCHEMBL434958 | 0.93 | — | — | |
| SCHEMBL6799285 | 0.93 | ALDH1A1 (0.46) | — | |
| SCHEMBL437564 | 0.93 | — | — | |
| SCHEMBL10871026 | 0.93 | ALDH1A1 (0.46) | — | |
| Benzene SCHEMBL1685406 | 0.88 | TP53 (0.36) | — | |
| Benzene SCHEMBL17504475 | 0.88 | TP53 (0.36) | — | |
| Hydrochloric Acid SCHEMBL17419363 | 0.86 | — | — | |
| SCHEMBL1817787 | 0.86 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117654458-A | Styrene epoxidation molecular sieve adsorbent and preparation method and application thereof | 万华化学集团股份有限公司 | 2024-03-08 | — | — | CN | disclosed |
| CN-218872182-U | Novel device for producing tert-butyl hydroperoxide | 兰州助剂厂有限责任公司 | 2023-04-18 | — | — | CN | disclosed |
| CN-115850143-A | Method for removing light components from tert-butyl hydroperoxide | 兰州助剂厂有限责任公司 | 2023-03-28 | — | — | CN | disclosed |
| CN-112939834-A | Preparation method of tert-butyl hydroperoxide | 北京水木滨华科技有限公司 | 2021-06-11 | — | — | CN | disclosed |
| CN-112375025-A | Purification method of tert-butyl hydroperoxide | 信汇科技有限公司 | 2021-02-19 | — | — | CN | disclosed |