⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22225670 | 0.92 | — | — | |
| SCHEMBL20793406 | 0.82 | — | — | |
| SCHEMBL23595340 | 0.80 | — | — | |
| SCHEMBL26575700 | 0.78 | — | — | |
| SCHEMBL24167902 | 0.76 | — | — | |
| SCHEMBL19936680 | 0.73 | — | — | |
| SCHEMBL19001717 | 0.73 | — | — | |
| SCHEMBL24440193 | 0.72 | — | — | |
| SCHEMBL8424651 | 0.71 | — | — | |
| SCHEMBL24981803 | 0.70 | — | — |
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-2022149617-A1 | COMPOUND LIBRARY | 中外製薬株式会社 | 2022-07-14 | — | — | WO | disclosed |