⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29964844 | 0.85 | — | — | |
| SCHEMBL29965145 | 0.84 | MGLL (0.42) | — | |
| SCHEMBL29964853 | 0.82 | NAMPT (0.34) | — | |
| SCHEMBL30861136 | 0.81 | — | — | |
| SCHEMBL27387756 | 0.81 | — | — | |
| SCHEMBL29965105 | 0.81 | — | — | |
| SCHEMBL29965175 | 0.81 | KDR (0.32) | — | |
| SCHEMBL29964836 | 0.80 | MARK3 (0.38) | — | |
| SCHEMBL26983456 | 0.80 | ALDH1A1 (0.34) | — | |
| SCHEMBL26983404 | 0.80 | ALDH1A1 (0.40) | — |
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-2022211060-A1 | ABHD6 ANTAGONIST | 小野薬品工業株式会社 | 2022-10-06 | — | — | WO | disclosed |