⚠ 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 | |
|---|---|---|---|---|
| Hypochlorous Acid SCHEMBL28791242 | 0.81 | — | — | |
| SCHEMBL253906 | 0.80 | — | — | |
| SCHEMBL9803971 | 0.80 | — | — | |
| SCHEMBL10938 | 0.80 | — | — | |
| SCHEMBL1331912 | 0.80 | — | — | |
| Bicarbonate SCHEMBL48074 | 0.79 | — | — | |
| Methyl Alcohol SCHEMBL3741971 | 0.77 | — | — | |
| Ethylene SCHEMBL11407063 | 0.76 | — | — | |
| SCHEMBL8997560 | 0.76 | — | — | |
| SCHEMBL30239 | 0.76 | — | — |
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-120040356-A | Small molecular fluorescent probe and application thereof in nickel ion detection | 中国烟草总公司安徽省公司 | 2025-05-27 | — | — | CN | disclosed |
| CN-110035993-A | SUBSTITUTED PYRROLIDINES AS CFTR MODULATORS | 艾伯维公司 | 2019-07-19 | — | — | CN | disclosed |
| CN-107847607-A | Aptamer conjugate of paclitaxel or derivative thereof, and preparation method and application thereof | 北京和理咨询有限公司 | 2018-03-27 | — | — | CN | disclosed |
| US-5137653-A | Alkanoyl ester compounds and their intermediates and method of producing the same | NIPPON MINING CO., LTD. (JP) | 1992-08-11 | — | — | US | disclosed |
| EP-0311692-B1 | NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION | NIPPON MINING COMPANY LIMITED (JP) | 1992-07-08 | — | — | EP | disclosed |
| EP-0311692-A1 | NOVEL ALKANOYL ESTER COMPOUNDS, INTERMEDIATES THEREFOR, AND PROCESSES FOR THEIR PREPARATION | NIPPON MINING COMPANY LIMITED (JP) | 1989-04-19 | — | — | EP | disclosed |