⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5820520 | 0.81 | HSD11B1 (0.31) | — | |
| SCHEMBL5923548 | 0.81 | HSD11B1 (0.31) | — | |
| SCHEMBL28498498 | 0.79 | — | — | |
| SCHEMBL28499865 | 0.74 | — | — | |
| SCHEMBL4268607 | 0.71 | — | — | |
| SCHEMBL9551675 | 0.69 | MAPK1 (0.31) | — | |
| SCHEMBL3687469 | 0.68 | — | — | |
| SCHEMBL28439127 | 0.68 | — | — | |
| SCHEMBL27791112 | 0.67 | CYP2C19 (0.30) | — | |
| SCHEMBL11705057 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107074887-B | Substituted dihydropyrrolopyrazoles | 宇部兴产株式会社 | 2020-12-22 | — | — | CN | disclosed |