⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28636198 | 0.97 | — | — | |
| SCHEMBL13723123 | 0.68 | — | — | |
| SCHEMBL4789240 | 0.67 | — | — | |
| SCHEMBL19859293 | 0.66 | — | — | |
| SCHEMBL18322382 | 0.64 | — | — | |
| SCHEMBL8903178 | 0.63 | NPSR1 (0.35) | — | |
| SCHEMBL28007944 | 0.57 | — | — | |
| SCHEMBL15690190 | 0.56 | — | — | |
| SCHEMBL15690191 | 0.56 | — | — | |
| SCHEMBL29536209 | 0.56 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116171280-A | Casein kinase 1 delta modulators | 詹森药业有限公司 | 2023-05-26 | — | — | CN | claimed |
| CN-118206566-A | Hydroxypyridooxazepine as NRF2 activator | 葛兰素史密斯克莱知识产权发展有限公司 | 2024-06-18 | — | — | CN | disclosed |
| CN-113474349-B | Hydroxypyridooxazepine as NRF2 activator | 葛兰素史密斯克莱知识产权发展有限公司 | 2024-03-01 | — | — | CN | disclosed |
| WO-2023210741-A1 | BENZOTRIAZOLE COMPOUND | 第一三共株式会社 | 2023-11-02 | — | — | WO | disclosed |
| CN-116171280-A | Casein kinase 1 delta modulators | 詹森药业有限公司 | 2023-05-26 | — | — | CN | disclosed |
| CN-113474349-A | Hydroxypyridooxazepine heptatrienes as NRF2 activators | 葛兰素史密斯克莱知识产权发展有限公司 | 2021-10-01 | — | — | CN | disclosed |