⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL910250 | 0.75 | — | — | |
| SCHEMBL2797217 | 0.69 | — | — | |
| SCHEMBL11054232 | 0.67 | — | — | |
| SCHEMBL11273246 | 0.66 | — | — | |
| SCHEMBL5194158 | 0.62 | — | — | |
| SCHEMBL7220573 | 0.61 | — | — | |
| SCHEMBL9584717 | 0.61 | — | — | |
| SCHEMBL10607348 | 0.60 | ALDH1A1 (0.46) | — | |
| SCHEMBL6089862 | 0.60 | — | — | |
| Formic Acid SCHEMBL28154186 | 0.58 | — | — |
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-113292559-B | Morphinan derivatives | 日本化学药品株式会社 | 2024-04-02 | — | — | CN | claimed |
| CN-113292559-A | Morphinan derivatives | 日本化学药品株式会社 | 2021-08-24 | — | — | CN | claimed |
| CN-113292558-A | Morphinan derivatives | 日本化学药品株式会社 | 2021-08-24 | — | — | CN | claimed |
| CN-107614500-B | Morphinan derivatives | 日本化学药品株式会社 | 2021-06-15 | — | — | CN | claimed |
| CN-113292559-B | Morphinan derivatives | 日本化学药品株式会社 | 2024-04-02 | — | — | CN | disclosed |
| CN-109020887-B | Amide compounds as agents for the prophylaxis and treatment of psychotic disorders | 绍兴从零医药科技有限公司 | 2022-03-01 | — | — | CN | disclosed |
| EP-0591805-B1 | Process for preparing 4-hydroxymethyl-tetrahydropyran | BASF AG (DE) | 1996-12-04 | — | — | EP | disclosed |