⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20329799 | 0.84 | — | — | |
| SCHEMBL26516165 | 0.83 | PIK3CD (0.38) | — | |
| SCHEMBL24429568 | 0.76 | — | — | |
| SCHEMBL24429565 | 0.76 | — | — | |
| SCHEMBL22200619 | 0.74 | — | — | |
| SCHEMBL20095976 | 0.73 | ADH1A (0.39) | — | |
| SCHEMBL18743944 | 0.72 | EPHX1 (0.33) | — | |
| SCHEMBL12376601 | 0.72 | EPHX1 (0.33) | — | |
| SCHEMBL17282199 | 0.72 | — | — | |
| SCHEMBL17999779 | 0.71 | EPHX1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220153734-A1 | Pyrazolopyridine Compounds For IRE1 Inhibition | Optikira, LLC | 2022-05-19 | — | — | US | disclosed |