⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21876522 | 1.00 | — | — | |
| SCHEMBL18987282 | 0.83 | LMNA (0.38) | — | |
| SCHEMBL22724975 | 0.80 | — | — | |
| SCHEMBL28506993 | 0.79 | CTSK (0.42) | — | |
| SCHEMBL1882577 | 0.79 | — | — | |
| SCHEMBL29099355 | 0.78 | LMNA (0.35) | — | |
| SCHEMBL28896738 | 0.78 | LMNA (0.39) | — | |
| SCHEMBL28976553 | 0.78 | LMNA (0.35) | — | |
| SCHEMBL28896737 | 0.78 | LMNA (0.39) | — | |
| SCHEMBL28976554 | 0.78 | LMNA (0.35) | — |
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-117043145-A | Metal-containing and metal-free chiral TACN/NOTA compounds/derivatives for administration | 香港理工大学 | 2023-11-10 | — | — | CN | disclosed |
| CN-115698004-A | Azalactam compounds as HPK1 inhibitors | 辉瑞公司 | 2023-02-03 | — | — | CN | disclosed |