⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23996260 | 0.90 | HSD17B10 (0.41) | — | |
| SCHEMBL19689040 | 0.90 | HSD17B10 (0.41) | — | |
| SCHEMBL24010086 | 0.83 | — | — | |
| SCHEMBL24242200 | 0.77 | — | — | |
| SCHEMBL11838574 | 0.76 | HSD17B10 (0.45) | — | |
| SCHEMBL14860507 | 0.75 | HSD17B10 (0.41) | — | |
| SCHEMBL21131107 | 0.75 | HSD17B10 (0.35) | — | |
| SCHEMBL648728 | 0.75 | — | — | |
| SCHEMBL648729 | 0.75 | — | — | |
| SCHEMBL21501095 | 0.73 | HSD17B10 (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10889591-B2 | PDE9 inhibitor and use thereof | NANJING TRANSTHERA BIOSCIENCES CO. LTD. (CN) | 2021-01-12 | — | — | US | disclosed |
| EP-3689876-A1 | PDE9 INHIBITOR AND USE THEREOF | Nanjing Transthera Biosciences Co. Ltd. (CN) | 2020-08-05 | — | — | EP | disclosed |
| WO-2019062733-A1 | PDE9 INHIBITOR AND USE THEREOF | 南京药捷安康生物科技有限公司 | 2019-04-04 | — | — | WO | disclosed |