⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18135272 | 0.76 | — | — | |
| SCHEMBL18574052 | 0.65 | — | — | |
| SCHEMBL9071101 | 0.62 | — | — | |
| SCHEMBL2669120 | 0.62 | — | — | |
| SCHEMBL23134414 | 0.62 | — | — | |
| SCHEMBL12955012 | 0.62 | — | — | |
| SCHEMBL18997896 | 0.62 | — | — | |
| SCHEMBL18756760 | 0.61 | PARP1 (0.30) | — | |
| SCHEMBL25099055 | 0.58 | ADRA2A (0.32) | — | |
| SCHEMBL13618754 | 0.58 | — | — |
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-9592235-B2 | Aminoquinazoline and pyridopyrimidine derivatives | GENENTECH, INC. (US) | 2017-03-14 | — | — | US | disclosed |