⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16488105 | 0.83 | GABRA1 (0.35) | — | |
| SCHEMBL15897095 | 0.79 | — | — | |
| SCHEMBL7812124 | 0.78 | TLR8 (0.41) | — | |
| SCHEMBL5325516 | 0.77 | TSHR (0.35) | — | |
| SCHEMBL25860565 | 0.76 | CNR2 (0.31) | — | |
| SCHEMBL4381704 | 0.75 | — | — | |
| SCHEMBL25864888 | 0.72 | CNR2 (0.31) | — | |
| SCHEMBL9972765 | 0.72 | — | — | |
| SCHEMBL5321248 | 0.71 | TSHR (0.42) | — | |
| SCHEMBL5262997 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1309587-A1 | CINNOLINE COMPOUNDS | AstraZeneca AB (SE) | 2003-05-14 | — | — | EP | disclosed |
| WO-2002012228-A1 | CINNOLINE COMPOUNDS | ASTRAZENECA AB (SE) | 2002-02-14 | — | — | WO | disclosed |