⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL818966 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL534853 | 0.91 | — | — | |
| Iodide SCHEMBL670623 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL1156276 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL30102493 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL5385230 | 0.90 | — | — | |
| Bicarbonate SCHEMBL29742345 | 0.83 | KDM4E (0.30) | — | |
| SCHEMBL325542 | 0.83 | ALDH1A1 (0.31) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL6483813 | 0.81 | GPR3 (0.32) | — | |
| SCHEMBL17264257 | 0.79 | CYP3A4 (0.33) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120136930-A | Preparation method of platinum-nitrogen heterocyclic carbene catalyst for alkyne homogeneous phase hydrosilylation | 天津师范大学 | 2025-06-13 | — | — | CN | claimed |
| CN-120136930-A | Preparation method of platinum-nitrogen heterocyclic carbene catalyst for alkyne homogeneous phase hydrosilylation | 天津师范大学 | 2025-06-13 | — | — | CN | disclosed |
| CN-114044730-B | Synthesis method of sulfoxide compound | 台州学院 | 2024-04-23 | — | — | CN | disclosed |
| US-8211820-B2 | Catalyst composition, and process for production of cross-coupling compound using the same | KYOTO UNIVERSITY (JP) | 2012-07-03 | — | — | US | disclosed |
| US-20100185019-A1 | CATALYST COMPOSITION AND PROCESS FOR PRODUCING CROSS-COUPLED COMPOUND USING SAME | TOSOH FINECHEM CORPORATION (JP) | 2010-07-22 | — | — | US | disclosed |
| US-20100094018-A1 | CATALYST COMPOSITION, AND PROCESS FOR PRODUCTION OF CROSS-COUPLING COMPOUND USING THE SAME | KYOTO UNIVERSITY (JP) | 2010-04-15 | — | — | US | disclosed |
| EP-2168680-A1 | CATALYST COMPOSITION AND METHOD FOR PRODUCING CROSS-COUPLING COMPOUND USING THE SAME | Kyoto University (JP) | 2010-03-31 | — | — | EP | disclosed |