⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23198151 | 0.69 | — | — | |
| SCHEMBL9068804 | 0.67 | — | — | |
| SCHEMBL25583920 | 0.67 | — | — | |
| SCHEMBL11049983 | 0.65 | MAOA (0.30) | — | |
| SCHEMBL17951317 | 0.65 | — | — | |
| SCHEMBL24148784 | 0.65 | — | — | |
| SCHEMBL16789665 | 0.62 | — | — | |
| SCHEMBL11052599 | 0.62 | MAOA (0.41) | — | |
| SCHEMBL21157657 | 0.61 | — | — | |
| SCHEMBL23199454 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2588455-B1 | 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS | GILEAD SCIENCES INC (US) | 2018-04-04 | — | — | EP | disclosed |