⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8477191 | 0.79 | — | — | |
| SCHEMBL18527204 | 0.79 | — | — | |
| SCHEMBL3928592 | 0.72 | — | — | |
| SCHEMBL13552249 | 0.72 | HTR2A (0.33) | — | |
| SCHEMBL443892 | 0.71 | CYP19A1 (0.33) | — | |
| SCHEMBL20855245 | 0.69 | HTR2A (0.30) | — | |
| SCHEMBL22717788 | 0.68 | HTR2C (0.49) | — | |
| SCHEMBL30840861 | 0.68 | — | — | |
| SCHEMBL20855264 | 0.67 | SLC6A2 (0.30) | — | |
| SCHEMBL30593763 | 0.67 | SLC6A2 (0.30) | — |
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-113727975-A | Substituted pyrrolopyridines as JAK inhibitors | 阿克拉瑞斯治疗股份有限公司 | 2021-11-30 | — | — | CN | disclosed |