⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23904766 | 0.80 | KDM4A (0.30) | — | |
| SCHEMBL14616166 | 0.76 | — | — | |
| SCHEMBL24816824 | 0.74 | — | — | |
| SCHEMBL23905467 | 0.71 | — | — | |
| SCHEMBL22994914 | 0.71 | — | — | |
| SCHEMBL15685113 | 0.70 | — | — | |
| SCHEMBL21190191 | 0.70 | — | — | |
| SCHEMBL22728200 | 0.70 | — | — | |
| SCHEMBL24904196 | 0.70 | — | — | |
| SCHEMBL23905957 | 0.70 | — | — |
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-2021214136-A1 | RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES | Janssen Sciences Ireland Unlimited Company (IE) | 2021-10-28 | — | — | WO | disclosed |