⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7392576 | 0.77 | — | — | |
| SCHEMBL27436628 | 0.67 | — | — | |
| SCHEMBL27488138 | 0.65 | — | — | |
| SCHEMBL18850534 | 0.63 | — | — | |
| SCHEMBL29403097 | 0.63 | — | — | |
| SCHEMBL823252 | 0.57 | — | — | |
| SCHEMBL9882550 | 0.57 | — | — | |
| Ethane SCHEMBL28311625 | 0.56 | — | — | |
| SCHEMBL788930 | 0.55 | — | — | |
| SCHEMBL6419678 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101056865-A | Aminoquinazolines compounds | HOFFMANN LA ROCHE (CH) | 2007-10-17 | — | — | CN | disclosed |