⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31668432 | 0.69 | — | — | |
| SCHEMBL25187716 | 0.69 | — | — | |
| SCHEMBL31524991 | 0.66 | CHRNB2 (0.47) | — | |
| SCHEMBL20500294 | 0.65 | — | — | |
| SCHEMBL20500277 | 0.56 | — | — | |
| SCHEMBL21493184 | 0.55 | — | — | |
| SCHEMBL1156109 | 0.55 | — | — | |
| SCHEMBL30147954 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL4622072 | 0.53 | — | — | |
| SCHEMBL21057035 | 0.53 | — | — |
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-20180334435-A1 | 6-HETEROARYLOXY- OR 6-ARYLOXY-QUINOLINE-2-CARBOXAMIDES AND METHOD OF USE | ABBVIE INC. | 2018-11-22 | — | — | US | disclosed |