⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23958705 | 1.00 | — | — | |
| SCHEMBL23958723 | 1.00 | — | — | |
| SCHEMBL25687173 | 0.84 | — | — | |
| SCHEMBL23958854 | 0.83 | PRKACA (0.33) | — | |
| SCHEMBL25686991 | 0.83 | PRKACA (0.33) | — | |
| SCHEMBL25234739 | 0.81 | — | — | |
| SCHEMBL23958722 | 0.81 | — | — | |
| SCHEMBL23958632 | 0.80 | CFTR (0.34) | — | |
| SCHEMBL23958790 | 0.80 | CFTR (0.34) | — | |
| SCHEMBL25686955 | 0.80 | CFTR (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230203004-A1 | RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2023-06-29 | — | — | US | disclosed |
| WO-2021214136-A1 | RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES | Janssen Sciences Ireland Unlimited Company (IE) | 2021-10-28 | — | — | WO | disclosed |