⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5611508 | 0.79 | — | — | |
| SCHEMBL10974769 | 0.79 | — | — | |
| SCHEMBL11595867 | 0.75 | — | — | |
| SCHEMBL8757928 | 0.73 | — | — | |
| SCHEMBL1813862 | 0.69 | — | — | |
| Vinyl Chloride SCHEMBL2557227 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL2965228 | 0.69 | CA1 (0.36) | — | |
| SCHEMBL647787 | 0.69 | — | — | |
| SCHEMBL16776 | 0.69 | — | — | |
| SCHEMBL6895322 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105473566-B | Rubescensin analog, composition and relative method | 德克萨斯大学系统董事会 | 2018-01-19 | — | — | CN | disclosed |
| CN-105473566-A | Oridonin analogs, compositions, and methods related thereto | UNIV TEXAS | 2016-04-06 | — | — | CN | disclosed |
| US-4469615-A | Water treating compositions | KOHRYU INDUSTRIAL CO. LTD. (JP) | 1984-09-04 | — | — | US | disclosed |
| US-4221921-A | HYDROGEN IODIDE CATALYST | CHEVRON RESEARCH COMPANY (US) | 1980-09-09 | — | — | US | disclosed |
| US-4155953-A | Process for production of modified polychlorotrifluoroethylene | DAIKIN KOGYO CO., LTD. (JP) | 1979-05-22 | — | — | US | disclosed |