⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6947208 | 1.00 | — | — | |
| SCHEMBL6947211 | 1.00 | — | — | |
| Acetaldehyde SCHEMBL27493145 | 0.74 | — | — | |
| SCHEMBL14511611 | 0.72 | — | — | |
| SCHEMBL11168687 | 0.69 | — | — | |
| SCHEMBL15117379 | 0.69 | — | — | |
| SCHEMBL6069219 | 0.69 | — | — | |
| SCHEMBL6069223 | 0.69 | — | — | |
| SCHEMBL11168686 | 0.69 | — | — | |
| SCHEMBL23092982 | 0.67 | — | — |
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-1993005011-A1 | NOVEL IMMUNOSUPPRESSANTS | SANDOZ LTD. (CH) | 1993-03-18 | — | — | WO | disclosed |