⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20349157 | 0.65 | — | — | |
| SCHEMBL2202914 | 0.62 | — | — | |
| SCHEMBL26711184 | 0.58 | — | — | |
| SCHEMBL27629444 | 0.56 | — | — | |
| SCHEMBL17581113 | 0.56 | — | — | |
| SCHEMBL1053003 | 0.56 | — | — | |
| SCHEMBL1098852 | 0.56 | — | — | |
| SCHEMBL6255042 | 0.55 | — | — | |
| SCHEMBL10075701 | 0.55 | — | — | |
| SCHEMBL6275922 | 0.55 | NOS3 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109575016-A | PDE9 inhibitors and uses thereof | 南京药捷安康生物科技有限公司 | 2019-04-05 | — | — | CN | disclosed |