⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10716175 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL22771738 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL22771736 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28088305 | 0.94 | ALDH1A1 (0.32) | — | |
| SCHEMBL12845080 | 0.82 | — | — | |
| SCHEMBL31028922 | 0.82 | — | — | |
| SCHEMBL15833678 | 0.82 | — | — | |
| SCHEMBL31028855 | 0.80 | ALDH1A1 (0.50) | — | |
| SCHEMBL5853282 | 0.78 | ALDH1A1 (0.55) | — | |
| SCHEMBL5854501 | 0.78 | ALDH1A1 (0.55) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023098730-A1 | COMPOUND CONTAINING CYCLOALKYL OR HALOALKYL | 正大天晴药业集团股份有限公司 | 2023-06-08 | — | — | WO | disclosed |
| WO-2023091707-A1 | BICYCLIC INHIBITORS OF JAK AND METHODS OF USE | THERAVANCE BIOPHARMA R&D IP, LLC (US) | 2023-05-25 | — | — | WO | disclosed |
| US-7998975-B2 | Sodium dependent glucose transporter inhibition; hyperglycemia associated diseases; 3-glucopyranosyloxy- 1H-indazole and 1H-pyrazolo[3,4-b]pyridine derivatives | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2011-08-16 | — | — | US | disclosed |