⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4760477 | 0.69 | — | — | |
| SCHEMBL5606224 | 0.67 | — | — | |
| SCHEMBL6376928 | 0.67 | — | — | |
| SCHEMBL1482302 | 0.67 | — | — | |
| SCHEMBL1515601 | 0.65 | — | — | |
| SCHEMBL6542095 | 0.65 | — | — | |
| SCHEMBL1515481 | 0.64 | — | — | |
| SCHEMBL27881607 | 0.64 | — | — | |
| SCHEMBL17183716 | 0.62 | — | — | |
| SCHEMBL3170272 | 0.62 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024128000-A1 | ISOPOLYOXOTUNGSTATE SALT COMPOUND, SOLVATE THEREOF OR MIXTURE OF SAID COMPOUND AND SOLVATE, AND METHOD FOR PRODUCING SAID COMPOUND, SOLVATE OR MIXTURE | 東京応化工業株式会社 | 2024-06-20 | — | — | WO | disclosed |
| CN-105503699-B | Oxocarbon compound, resin composition containing the same, and filter containing the resin composition | 株式会社日本触媒 | 2021-05-11 | — | — | CN | disclosed |
| US-7244861-B2 | Benzene compound and salt thereof | EISAI CO., LTD. (JP) | 2007-07-17 | — | — | US | disclosed |
| EP-1217001-B1 | QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | EISAI CO LTD (JP) | 2005-12-07 | — | — | EP | disclosed |
| US-20040138271-A1 | Benzene compound and salt thereof | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2004-07-15 | — | — | US | disclosed |
| EP-1375472-A1 | BENZENE COMPOUND AND SALT THEREOF | Eisai Co., Ltd. (JP) | 2004-01-02 | — | — | EP | disclosed |
| US-6599917-B1 | A squalene-synthesizing enzyme inhibitor, a cholesterol biosynthesis inhibitor and a triglyceride biosynthesis inhibitor | EISAI CO., LTD. (JP) | 2003-07-29 | — | — | US | disclosed |
| EP-1217001-A1 | QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | Eisai Co., Ltd. (JP) | 2002-06-26 | — | — | EP | disclosed |