⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17635083 | 0.82 | — | — | |
| SCHEMBL17635084 | 0.79 | — | — | |
| SCHEMBL13735776 | 0.77 | — | — | |
| SCHEMBL6849505 | 0.74 | — | — | |
| SCHEMBL521318 | 0.70 | PDE9A (0.31) | — | |
| SCHEMBL3748115 | 0.67 | — | — | |
| SCHEMBL7734472 | 0.65 | — | — | |
| SCHEMBL3107747 | 0.65 | — | — | |
| SCHEMBL7782425 | 0.65 | — | — | |
| SCHEMBL16689100 | 0.64 | EPHX1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021137632-A1 | DOUBLE METAL CYANIDE CATALYST, PREPARATION METHOD THEREFOR, AND METHOD FOR PREPARING POLYOL | 부산대학교산학협력단 | 2021-07-08 | — | — | WO | disclosed |