⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22016780 | 0.83 | LMNA (0.33) | — | |
| SCHEMBL21955061 | 0.71 | BRD4 (0.32) | — | |
| SCHEMBL22016201 | 0.70 | — | — | |
| SCHEMBL22016874 | 0.70 | KDM5B (0.34) | — | |
| SCHEMBL21479583 | 0.67 | HSD11B1 (0.31) | — | |
| SCHEMBL21479561 | 0.66 | HSD11B1 (0.34) | — | |
| SCHEMBL17035909 | 0.65 | ATM (0.39) | — | |
| SCHEMBL1270636 | 0.65 | ATM (0.39) | — | |
| SCHEMBL21479572 | 0.64 | HSD11B1 (0.33) | — | |
| SCHEMBL13069794 | 0.64 | HSD11B1 (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 |
|---|---|---|---|---|---|---|---|
| US-20220119383-A1 | QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS | GILEAD SCIENCES, INC. | 2022-04-21 | — | — | US | disclosed |