⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6154415 | 1.00 | — | — | |
| SCHEMBL6154418 | 1.00 | — | — | |
| SCHEMBL10292310 | 0.74 | — | — | |
| SCHEMBL501536 | 0.74 | — | — | |
| SCHEMBL501535 | 0.74 | — | — | |
| SCHEMBL24151282 | 0.73 | — | — | |
| SCHEMBL6414174 | 0.73 | — | — | |
| SCHEMBL21406514 | 0.73 | — | — | |
| SCHEMBL8769908 | 0.71 | — | — | |
| SCHEMBL6307949 | 0.71 | — | — |
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-20050006246-A1 | Nitrogen atom transfer | YUDIN ANDREI K (CA) | 2005-01-13 | — | — | US | disclosed |
| WO-1997044302-A1 | PROCESS FOR PREPARING A C2-6-ALKANOL CONTAINING FROM TWO TO FOUR HYDROXYL GROUPS | THE DOW CHEMICAL COMPANY (US) | 1997-11-27 | — | — | WO | disclosed |