⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL626961 | 0.79 | — | — | |
| SCHEMBL631203 | 0.77 | — | — | |
| SCHEMBL16338933 | 0.77 | — | — | |
| Alcohol SCHEMBL12814153 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL11051868 | 0.74 | — | — | |
| SCHEMBL8950565 | 0.73 | — | — | |
| SCHEMBL589867 | 0.73 | — | — | |
| SCHEMBL410608 | 0.73 | — | — | |
| SCHEMBL589868 | 0.73 | — | — | |
| SCHEMBL10580799 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-5058845-A | — | — | None | — | — | JP | disclosed |
| CN-115094454-B | Electrolytic cell and method for urea electrolysis hydrogen production and carbon reduction | 中国华能集团清洁能源技术研究院有限公司 | 2023-08-25 | — | — | CN | disclosed |
| CN-115094454-A | Electrolytic cell and method for urea electrolytic hydrogen production and carbon reduction | 中国华能集团清洁能源技术研究院有限公司 | 2022-09-23 | — | — | CN | disclosed |
| CN-109642153-A | Chemiluminescent substrate | 拜克门寇尔特公司 | 2019-04-16 | — | — | CN | disclosed |
| US-5597921-A | ANTITUMOR AGENTS, TREATMENT OF LEUKEMIA | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 1997-01-28 | — | — | US | disclosed |
| EP-0695754-A1 | INDOLO 2,3-b]QUINOXALINE DERIVATIVE | TAISHO PHARMACEUTICAL CO. LTD (JP) | 1996-02-07 | — | — | EP | disclosed |
| JP-H0558845-A | AEROSOL COMPOSITION FOR HAIR | LION CORP | 1993-03-09 | — | — | JP | disclosed |