⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9299059 | 0.79 | — | — | |
| SCHEMBL20889810 | 0.79 | — | — | |
| SCHEMBL5698371 | 0.70 | ALDH1A1 (0.46) | — | |
| SCHEMBL6516816 | 0.69 | ALDH1A1 (0.44) | — | |
| SCHEMBL17768521 | 0.65 | — | — | |
| SCHEMBL3027178 | 0.65 | — | — | |
| SCHEMBL4506588 | 0.65 | — | — | |
| SCHEMBL134072 | 0.65 | — | — | |
| SCHEMBL3797356 | 0.65 | SIGMAR1 (0.56) | — | |
| Hydrochloric Acid SCHEMBL23123533 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117561262-A | Macrocyclic TAK1 inhibitors | 阿奎利恩有限公司 | 2024-02-13 | — | — | CN | disclosed |