⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24697309 | 0.85 | — | — | |
| SCHEMBL22787179 | 0.81 | — | — | |
| SCHEMBL13190771 | 0.80 | — | — | |
| SCHEMBL24322914 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL12677130 | 0.67 | — | — | |
| SCHEMBL18520404 | 0.67 | — | — | |
| SCHEMBL18519850 | 0.64 | — | — | |
| SCHEMBL19662459 | 0.64 | — | — | |
| SCHEMBL18520405 | 0.63 | — | — | |
| SCHEMBL19252676 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200392503-A1 | METHODS AND COMPOSITIONS FOR TREATMENT OF POLYCYSTIC KIDNEY DISEASE | Regulus Therapeutics Inc. (US) | 2020-12-17 | — | — | US | disclosed |
| WO-2017133655-A1 | BENZOTHIAZINE AND BENZOTHIADIAZINE COMPOUNDS AND PREPARATION AND USE | 浙江大学 | 2017-08-10 | — | — | WO | disclosed |