⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29911876 | 0.77 | TNKS2 (0.33) | — | |
| SCHEMBL19142540 | 0.77 | TNKS2 (0.33) | — | |
| SCHEMBL28238954 | 0.77 | TDP1 (0.31) | — | |
| SCHEMBL28237797 | 0.77 | AXL (0.32) | — | |
| SCHEMBL29417523 | 0.73 | CYP1A2 (0.35) | — | |
| SCHEMBL29816028 | 0.72 | KDM4E (0.38) | — | |
| SCHEMBL5775122 | 0.72 | KDM4E (0.38) | — | |
| SCHEMBL30305190 | 0.70 | PARP1 (0.36) | — | |
| SCHEMBL5779007 | 0.70 | PARP1 (0.36) | — | |
| SCHEMBL28845028 | 0.69 | KMT2A (0.31) | — |
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-108473485-A | QUINOLIN-2-ONE DERIVATIVES | 默克专利股份公司 | 2018-08-31 | — | — | CN | disclosed |