⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13978072 | 0.79 | — | — | |
| SCHEMBL8074045 | 0.77 | NOS3 (0.34) | — | |
| SCHEMBL442115 | 0.76 | ANPEP (0.32) | — | |
| SCHEMBL13100141 | 0.75 | NOS3 (0.40) | — | |
| SCHEMBL10328069 | 0.74 | — | — | |
| SCHEMBL10328173 | 0.74 | — | — | |
| SCHEMBL10169023 | 0.73 | HRH4 (0.35) | — | |
| SCHEMBL10169021 | 0.72 | PCSK9 (0.39) | — | |
| SCHEMBL13449311 | 0.69 | PIK3CA (0.35) | — | |
| SCHEMBL13035181 | 0.69 | — | — |
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-2007095588-A1 | PI-3 KINASE INHIBITORS AND METHODS OF THEIR USE | NOVARTIS AG (CH) | 2007-08-23 | — | — | WO | disclosed |