⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2183460 | 0.73 | — | — | |
| SCHEMBL13482389 | 0.73 | — | — | |
| SCHEMBL987881 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL14104923 | 0.70 | — | — | |
| SCHEMBL4197577 | 0.68 | — | — | |
| SCHEMBL30179885 | 0.68 | — | — | |
| SCHEMBL1705336 | 0.68 | — | — | |
| SCHEMBL4091054 | 0.67 | — | — | |
| SCHEMBL4889347 | 0.66 | — | — | |
| SCHEMBL12018804 | 0.65 | APLNR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4490284-A | ALCOHOLS, ALDEHYDES, AND ESTERS AS ORGANOLEPTIC OILS HAVING A FLOWERY ODOR | DRAGOCO GERBERDING & CO. GMBH (DE) | 1984-12-25 | — | — | US | disclosed |