⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17620521 | 1.00 | — | — | |
| SCHEMBL11716217 | 0.82 | CES2 (0.39) | — | |
| SCHEMBL17621405 | 0.80 | CES2 (0.41) | — | |
| SCHEMBL963518 | 0.77 | — | — | |
| SCHEMBL17620523 | 0.77 | — | — | |
| SCHEMBL963520 | 0.77 | — | — | |
| SCHEMBL8344619 | 0.76 | — | — | |
| SCHEMBL18015092 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL6055479 | 0.74 | GAA (0.43) | — | |
| SCHEMBL25935782 | 0.72 | KDM5A (0.33) | — |
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 |