⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27684211 | 0.79 | — | — | |
| SCHEMBL22781541 | 0.78 | KDM4E (0.33) | — | |
| SCHEMBL4447031 | 0.77 | — | — | |
| SCHEMBL5142254 | 0.77 | — | — | |
| SCHEMBL11119 | 0.76 | — | — | |
| Formic Acid SCHEMBL1832326 | 0.76 | ALDH1A1 (0.40) | — | |
| SCHEMBL28102430 | 0.75 | — | — | |
| SCHEMBL20921271 | 0.75 | — | — | |
| Fluoride SCHEMBL25246136 | 0.74 | KDM4E (0.42) | — | |
| Iodide SCHEMBL1835511 | 0.74 | KDM4E (0.42) | — |
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-111819176-B | 4-azaindole compounds | 百时美施贵宝公司 | 2023-12-15 | — | — | CN | claimed |
| WO-1996034866-A1 | IMIDAZO 1,2-A PYRIDINE AND IMIDAZO 1,2-A PYRIDEZINE DERIVATIVES AND THEIR USE AS BONE RESORPTION INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1996-11-07 | — | — | WO | disclosed |