⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5576981 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL10524303 | 0.72 | TSHR (0.73) | — | |
| SCHEMBL8572003 | 0.69 | TSHR (0.41) | — | |
| SCHEMBL28236221 | 0.66 | TDP1 (1.00) | — | |
| SCHEMBL4386991 | 0.66 | — | — | |
| SCHEMBL14861 | 0.66 | TDP1 (1.00) | — | |
| SCHEMBL9812981 | 0.65 | TSHR (0.39) | — | |
| Hydrochloric Acid SCHEMBL25381110 | 0.62 | TSHR (0.89) | — | |
| SCHEMBL7526385 | 0.62 | TSHR (0.89) | — | |
| Water SCHEMBL2208354 | 0.62 | TSHR (0.89) | — |
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-2024153180-A1 | HETEROCYCLIC COMPOUND, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 上海艾力斯医药科技股份有限公司 | 2024-07-25 | — | — | WO | disclosed |
| CN-108070261-B | Heat-curable silicon-oxygen composition, die-bonding material, and optical semiconductor device | 信越化学工业株式会社 | 2021-06-18 | — | — | CN | disclosed |
| CN-107001769-B | Heat-curable silicon-oxygen composition, solid-crystal material comprising the composition, and optical semiconductor device using cured product of the solid-crystal material | 信越化学工业株式会社 | 2019-07-09 | — | — | CN | disclosed |
| CN-101944659-B | Circuit connection material, use its film-shaped circuit connection material, the connecting structure of circuit member and manufacture method thereof | 日立化成株式会社 | 2016-08-17 | — | — | CN | disclosed |
| CN-101944659-A | The joint construction and the manufacture method thereof of circuit connection material, the film-shaped circuit connection material that uses it, circuit member | HITACHI CHEMICAL CO LTD | 2011-01-12 | — | — | CN | disclosed |
| EP-1140944-B1 | EPOTHILONE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS | NOVARTIS AG (CH) | 2003-08-27 | — | — | EP | disclosed |
| EP-1140944-A1 | EPOTHILONE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS | Novartis AG (CH) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000037473-A1 | EPOTHILONE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS | NOVARTIS AG (CH) | 2000-06-29 | — | — | WO | disclosed |