⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28187792 | 0.77 | — | — | |
| SCHEMBL1094920 | 0.72 | — | — | |
| SCHEMBL331834 | 0.71 | — | — | |
| SCHEMBL431377 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL15451181 | 0.70 | — | — | |
| SCHEMBL6014372 | 0.70 | — | — | |
| SCHEMBL16761002 | 0.69 | — | — | |
| SCHEMBL1687808 | 0.69 | — | — | |
| Water SCHEMBL30726534 | 0.69 | — | — | |
| SCHEMBL29119800 | 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-115536703-A | Phosphonic acid dialkyl ester methyleneoxy pentafluorocyclotriphosphazene compound and preparation method thereof | 张家港市国泰华荣化工新材料有限公司 | 2022-12-30 | — | — | CN | disclosed |
| CN-109071696-A | Polymerization of Michael type monomers | 慕尼黑工业大学 | 2018-12-21 | — | — | CN | disclosed |
| CN-103146108-B | A kind of moisture permeability degraded chemical warfare agent laminated film and its preparation method and application | 上海杰事杰新材料(集团)股份有限公司 | 2016-08-03 | — | — | CN | disclosed |
| CN-103146108-A | Moisture-penetrable degradation chemical warfare agent composite film and its preparation method and use | SHANGHAI GENIUS ADVANCED MAT | 2013-06-12 | — | — | CN | disclosed |
| WO-2010047982-A1 | NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS | MERCK SHARP & DOHME CORP. (US) | 2010-04-29 | — | — | WO | disclosed |