⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18269653 | 0.82 | — | — | |
| SCHEMBL6352139 | 0.82 | — | — | |
| SCHEMBL96873 | 0.82 | — | — | |
| SCHEMBL27727104 | 0.80 | ADH1A (0.32) | — | |
| SCHEMBL27631662 | 0.80 | ADH1A (0.32) | — | |
| SCHEMBL28056947 | 0.80 | ADH1A (0.32) | — | |
| Water SCHEMBL11853240 | 0.80 | — | — | |
| SCHEMBL16611609 | 0.80 | — | — | |
| SCHEMBL27541395 | 0.80 | ADH1A (0.32) | — | |
| SCHEMBL27706381 | 0.80 | ADH1A (0.32) | — |
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-2001036367-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2001-05-25 | — | — | WO | disclosed |