⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7966029 | 1.00 | — | — | |
| SCHEMBL7807829 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL7807832 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL28262353 | 0.77 | — | — | |
| SCHEMBL9465914 | 0.75 | — | — | |
| SCHEMBL9465907 | 0.75 | — | — | |
| SCHEMBL234714 | 0.73 | — | — | |
| SCHEMBL234715 | 0.73 | — | — | |
| SCHEMBL329976 | 0.72 | — | — | |
| SCHEMBL9219377 | 0.71 | ALDH1A1 (0.32) | — |
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-111668551-B | Electrolyte matched with silicon-carbon negative electrode material lithium ion battery | 河南电池研究院有限公司 | 2022-09-30 | — | — | CN | claimed |
| CN-102211988-A | Preparation method of edible spice compound 3-hydroxy-2-pentanone | UNIV BEIJING TECH & BUSINESS | 2011-10-12 | — | — | CN | claimed |
| CN-111668551-B | Electrolyte matched with silicon-carbon negative electrode material lithium ion battery | 河南电池研究院有限公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-111668551-B | Electrolyte matched with silicon-carbon negative electrode material lithium ion battery | 河南电池研究院有限公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-102211988-A | Preparation method of edible spice compound 3-hydroxy-2-pentanone | UNIV BEIJING TECH & BUSINESS | 2011-10-12 | — | — | CN | disclosed |
| CN-1215835-C | Ketone derivatives and medical use thereof | TORAY INDUSTRIES (JP) | 2005-08-24 | — | — | CN | disclosed |
| US-6215016-B1 | HEMATOPOIETIC AGENTS; PREVENTING CYTOPENIA | TORAY INDUSTRIES, INC. (JP) | 2001-04-10 | — | — | US | disclosed |
| CN-1194580-A | Ketone derivatives and medical use thereof | TORAY INDUSTRIES (JP) | 1998-09-30 | — | — | CN | disclosed |
| EP-0841063-A1 | KETONE DERIVATIVES AND MEDICINAL USE THEREOF | TORAY INDUSTRIES, INC. (JP) | 1998-05-13 | — | — | EP | disclosed |