⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL16039050 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL9044746 | 0.96 | — | — | |
| SCHEMBL9766049 | 0.95 | — | — | |
| SCHEMBL5279 | 0.95 | — | — | |
| SCHEMBL6243959 | 0.91 | — | — | |
| SCHEMBL11372758 | 0.91 | — | — | |
| SCHEMBL936708 | 0.91 | — | — | |
| Cyclopentane SCHEMBL9453154 | 0.91 | — | — | |
| SCHEMBL4949315 | 0.91 | — | — | |
| SCHEMBL7933983 | 0.91 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115043844-B | TRK kinase inhibitor compounds and uses thereof | 河南迈英诺医药科技有限公司 | 2024-05-17 | — | — | CN | claimed |
| CN-117858865-A | CBL-B modulators and uses thereof | 林伯士克莱奥公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-105263906-A | Inhibitors of histone demethylases | EPITHERAPEUTICS APS | 2016-01-20 | — | — | CN | disclosed |