⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27405284 | 0.81 | — | — | |
| SCHEMBL27750889 | 0.74 | TSHR (0.39) | — | |
| SCHEMBL2743664 | 0.72 | MGLL (0.30) | — | |
| SCHEMBL28058889 | 0.70 | KDM4E (0.41) | — | |
| SCHEMBL34468856 | 0.70 | LOX (0.34) | — | |
| SCHEMBL28688664 | 0.69 | — | — | |
| SCHEMBL27615394 | 0.69 | — | — | |
| SCHEMBL21801971 | 0.67 | SSTR4 (0.38) | — | |
| SCHEMBL2528825 | 0.66 | — | — | |
| SCHEMBL28016524 | 0.66 | — | — |
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-117136186-A | Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof | 盖诺斯克公司 | 2023-11-28 | — | — | CN | disclosed |
| CN-113801150-B | Eu (II) complex and application thereof as electroluminescent material | 北京大学 | 2022-11-22 | — | — | CN | disclosed |
| CN-113801150-A | Eu (II) complex and application thereof as electroluminescent material | 北京大学 | 2021-12-17 | — | — | CN | disclosed |