⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11085119 | 1.00 | — | — | |
| SCHEMBL11394611 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL11394615 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL11335524 | 0.73 | — | — | |
| SCHEMBL11335522 | 0.73 | — | — | |
| SCHEMBL27875929 | 0.73 | — | — | |
| SCHEMBL7754248 | 0.72 | CES2 (0.30) | — | |
| SCHEMBL7754252 | 0.72 | CES2 (0.30) | — | |
| SCHEMBL7966029 | 0.69 | — | — | |
| SCHEMBL7966032 | 0.69 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114213254-B | Beta-nitroketone and preparation method and application method thereof | 北京师范大学 | 2023-04-25 | — | — | CN | disclosed |
| CN-114213254-A | Beta-nitroketone, and preparation method and application method thereof | 北京师范大学 | 2022-03-22 | — | — | CN | disclosed |
| CN-112010881-B | Alkenyl boron compound and preparation method and application thereof | 中国科学院兰州化学物理研究所 | 2021-09-03 | — | — | CN | disclosed |
| CN-112010881-A | Alkenyl boron compound and preparation method and application thereof | 中国科学院兰州化学物理研究所 | 2020-12-01 | — | — | CN | disclosed |
| CN-101798296-B | Method for preparing alpha-(2-methyl-3-furanthio)one flavor compounds | BEIJING TECHNOLOGY AND BUSINESS UNIVERSITY (CN) | 2012-02-01 | — | — | CN | disclosed |
| CN-101798296-A | Method for preparing alpha-(2-methyl-3-furanthio)one flavor compounds | UNIV BEIJING TECHNOLOGY & BUSINESS | 2010-08-11 | — | — | CN | disclosed |
| US-4430497-A | PRESENCE OF LEWIS ACID | GRUENENTHAL GMBH (DE) | 1984-02-07 | — | — | US | disclosed |
| EP-0059307-A1 | Preparation of 2-oxa-bicyclo(3.3.0)octane compounds and their derivatives | Grünenthal GmbH (DE) | 1982-09-08 | — | — | EP | disclosed |