⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22535914 | 0.88 | CYP3A4 (0.32) | — | |
| SCHEMBL78796 | 0.83 | CYP3A4 (0.30) | — | |
| SCHEMBL460694 | 0.83 | CYP3A4 (0.32) | — | |
| SCHEMBL30487191 | 0.81 | — | — | |
| SCHEMBL459900 | 0.80 | — | — | |
| SCHEMBL20144 | 0.75 | CYP3A4 (0.31) | — | |
| SCHEMBL8387338 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL28288673 | 0.73 | CYP3A4 (0.30) | — | |
| SCHEMBL21569372 | 0.73 | PGK1 (0.33) | — | |
| SCHEMBL427584 | 0.73 | PGK1 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118084813-A | Macrocyclic compounds | 诺和诺德牛津研究中心有限公司 | 2024-05-28 | — | — | CN | disclosed |
| CN-110691777-B | Macrocyclic compounds | 诺和诺德牛津研究中心有限公司 | 2024-03-01 | — | — | CN | disclosed |