⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL320068 | 0.81 | — | — | |
| SCHEMBL28293734 | 0.81 | MMP1 (0.48) | — | |
| SCHEMBL17120970 | 0.75 | MMP1 (0.43) | — | |
| SCHEMBL43908 | 0.73 | — | — | |
| SCHEMBL3723886 | 0.73 | — | — | |
| SCHEMBL23173031 | 0.73 | EPHX1 (0.52) | — | |
| SCHEMBL9781844 | 0.72 | — | — | |
| SCHEMBL29202927 | 0.72 | EPHX1 (0.42) | — | |
| Ethane SCHEMBL4541015 | 0.71 | — | — | |
| SCHEMBL604884 | 0.71 | — | — |
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-2010052448-A2 | FUSED PYRAZINE DERIVATIVES AS KINASE INHIBITORS | UCB PHARMA S.A. (BE) | 2010-05-14 | — | — | WO | disclosed |