⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21846313 | 0.88 | — | — | |
| SCHEMBL25020089 | 0.75 | — | — | |
| SCHEMBL21846275 | 0.74 | — | — | |
| SCHEMBL21846280 | 0.72 | — | — | |
| SCHEMBL21846184 | 0.71 | — | — | |
| SCHEMBL21846435 | 0.71 | — | — | |
| SCHEMBL21912059 | 0.70 | — | — | |
| SCHEMBL21895733 | 0.70 | — | — | |
| SCHEMBL25020009 | 0.69 | — | — | |
| SCHEMBL21846318 | 0.68 | ADRA2A (0.37) | — |
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-2020055756-A1 | COMBINATION THERAPIES | Mirati Therapeutics, Inc. (US) | 2020-03-19 | — | — | WO | disclosed |