⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18075118 | 0.83 | — | — | |
| SCHEMBL4230854 | 0.76 | — | — | |
| SCHEMBL9381183 | 0.76 | — | — | |
| SCHEMBL8602537 | 0.74 | — | — | |
| SCHEMBL5741151 | 0.74 | — | — | |
| SCHEMBL629913 | 0.73 | CYP3A4 (0.33) | — | |
| SCHEMBL3671393 | 0.70 | — | — | |
| SCHEMBL17079759 | 0.68 | — | — | |
| SCHEMBL10697182 | 0.68 | — | — | |
| SCHEMBL10695862 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11851441-B2 | Anti-cancer agents and preparation thereof | PURDUE RESEARCH FOUNDATION (US) | 2023-12-26 | — | — | US | disclosed |
| EP-3515492-B1 | ANTI-CANCER AGENTS AND PREPARATION THEREOF | PURDUE RESEARCH FOUNDATION (US) | 2023-07-26 | — | — | EP | disclosed |
| CN-110003291-B | Fluoro glycosyl modified taxol compound and synthesis method and application thereof | 天津科技大学 | 2022-11-29 | — | — | CN | disclosed |
| US-20210395265-A1 | ANTI-CANCER AGENTS AND PREPARATION THEREOF | PURDUE RESEARCH FOUNDATION | 2021-12-23 | — | — | US | disclosed |
| US-10858371-B2 | Anti-cancer agents and preparation thereof | PURDUE RESEARCH FOUNDATION (US) | 2020-12-08 | — | — | US | disclosed |
| EP-3515492-A1 | ANTI-CANCER AGENTS AND PREPARATION THEREOF | Ghosh, Arun K. (US) | 2019-07-31 | — | — | EP | disclosed |
| US-20190218228-A1 | ANTI-CANCER AGENTS AND PREPARATION THEREOF | PURDUE RESEARCH FOUNDATION | 2019-07-18 | — | — | US | disclosed |
| WO-2018057897-A1 | ANTI-CANCER AGENTS AND PREPARATION THEREOF | GHOSH ARUN K (US) | 2018-03-29 | — | — | WO | disclosed |
| CN-106377521-A | Application of glucal and derivative of glucal in preparing medicament | 威海恒基伟业信息科技发展有限公司 | 2017-02-08 | — | — | CN | disclosed |