⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL518032 | 0.87 | — | — | |
| Methane SCHEMBL28323479 | 0.84 | — | — | |
| SCHEMBL28091555 | 0.77 | — | — | |
| Bicarbonate SCHEMBL4340297 | 0.74 | — | — | |
| SCHEMBL654712 | 0.63 | — | — | |
| SCHEMBL8770239 | 0.63 | — | — | |
| SCHEMBL6533554 | 0.63 | — | — | |
| SCHEMBL8770062 | 0.61 | — | — | |
| SCHEMBL12819531 | 0.60 | — | — | |
| SCHEMBL8935143 | 0.60 | — | — |
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-5008471-A | Process for the preparation of rooperol | ROOPEROL (N.A.) (NL) | 1991-04-16 | — | — | US | disclosed |
| EP-0206765-B1 | PROCESS FOR PREPARATION OF ROOPEROL, HYPOXOSIDE AND DERIVATIVES THEREOF | ROOPEROL (NA) NV (NL) | 1991-03-06 | — | — | EP | disclosed |