⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28831653 | 0.87 | — | — | |
| SCHEMBL28079249 | 0.84 | VHL (0.36) | — | |
| SCHEMBL28079401 | 0.84 | — | — | |
| SCHEMBL16517389 | 0.77 | MAP3K14 (0.41) | — | |
| SCHEMBL16516755 | 0.68 | KDM5A (0.34) | — | |
| SCHEMBL16517444 | 0.67 | MAP3K14 (0.42) | — | |
| SCHEMBL16516396 | 0.67 | MAP3K14 (0.42) | — | |
| SCHEMBL28079236 | 0.66 | ESR1 (0.37) | — | |
| SCHEMBL16517705 | 0.66 | MAP3K14 (0.43) | — | |
| SCHEMBL16517650 | 0.65 | MAP3K14 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105658640-A | Alkynyl alcohols and methods of use | 豪夫迈·罗氏有限公司 | 2016-06-08 | — | — | CN | disclosed |