⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2106334 | 0.85 | PDE9A (0.32) | — | |
| SCHEMBL1352530 | 0.79 | — | — | |
| SCHEMBL2493825 | 0.76 | — | — | |
| SCHEMBL1533016 | 0.76 | — | — | |
| SCHEMBL2152446 | 0.76 | — | — | |
| SCHEMBL17985081 | 0.76 | — | — | |
| SCHEMBL2044521 | 0.75 | — | — | |
| SCHEMBL7198289 | 0.74 | PDE9A (0.36) | — | |
| SCHEMBL9903979 | 0.73 | PDE9A (0.41) | — | |
| SCHEMBL2046634 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2340021-B1 | SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES | HOFFMANN LA ROCHE (CH) | 2012-11-07 | — | — | EP | disclosed |
| US-20100099805-A1 | Polymerization-curable composition, method for polymerization curing thereof, and polymerization-cured resin composition | DENSO CORPORATION (JP) | 2010-04-22 | — | — | US | disclosed |