⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22237407 | 0.78 | — | — | |
| SCHEMBL130843 | 0.69 | — | — | |
| SCHEMBL13296646 | 0.67 | — | — | |
| SCHEMBL4553111 | 0.62 | NOS1 (0.38) | — | |
| SCHEMBL2614480 | 0.62 | — | — | |
| SCHEMBL22242839 | 0.62 | — | — | |
| SCHEMBL6907048 | 0.62 | NOS1 (0.41) | — | |
| SCHEMBL20843264 | 0.61 | LMNA (0.39) | — | |
| SCHEMBL24023949 | 0.60 | — | — | |
| SCHEMBL292775 | 0.60 | — | — |
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-20170042889-A1 | AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | NOVARTIS AG (CH) | 2017-02-16 | — | — | US | disclosed |