⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18745062 | 0.82 | — | — | |
| SCHEMBL799949 | 0.79 | THRA (0.38) | — | |
| SCHEMBL18557379 | 0.78 | PIK3CD (0.31) | — | |
| SCHEMBL22386781 | 0.77 | — | — | |
| SCHEMBL13413641 | 0.75 | — | — | |
| SCHEMBL21038356 | 0.74 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL4654339 | 0.72 | THRA (0.36) | — | |
| SCHEMBL23278431 | 0.72 | — | — | |
| SCHEMBL21759237 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL803055 | 0.70 | DAO (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10301317-B2 | Inhibitors of ERK and methods of use | KURA ONCOLOGY, INC. (US) | 2019-05-28 | — | — | US | disclosed |