⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22016536 | 0.75 | ATM (0.35) | — | |
| SCHEMBL22016504 | 0.62 | ATM (0.40) | — | |
| SCHEMBL22016535 | 0.56 | GRM4 (0.34) | — | |
| SCHEMBL7104279 | 0.47 | PIK3CG (0.40) | — | |
| SCHEMBL7184431 | 0.47 | RXFP1 (0.46) | — | |
| SCHEMBL22291627 | 0.47 | BRD9 (0.38) | — | |
| SCHEMBL22016239 | 0.45 | ADORA3 (0.43) | — | |
| SCHEMBL19657534 | 0.45 | HSD17B10 (0.43) | — | |
| SCHEMBL21024075 | 0.45 | HSD17B10 (0.43) | — | |
| SCHEMBL22016496 | 0.43 | PDE4B (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220119383-A1 | QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS | GILEAD SCIENCES, INC. | 2022-04-21 | — | — | US | disclosed |