⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10697037 | 0.94 | — | — | |
| SCHEMBL10698746 | 0.88 | CYSLTR2 (0.45) | — | |
| SCHEMBL10696813 | 0.84 | — | — | |
| SCHEMBL9209898 | 0.84 | — | — | |
| SCHEMBL9202929 | 0.84 | — | — | |
| SCHEMBL10698190 | 0.82 | CYSLTR2 (0.48) | — | |
| SCHEMBL9265161 | 0.82 | CYSLTR2 (0.51) | — | |
| SCHEMBL9202938 | 0.81 | CYSLTR1 (0.51) | — | |
| SCHEMBL9210664 | 0.81 | CYSLTR1 (0.49) | — | |
| SCHEMBL9597297 | 0.80 | CYSLTR1 (0.48) | — |
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-0271287-A2 | Quinoline dioic acids and amides | MERCK FROSST CANADA INC. (CA) | 1988-06-15 | — | — | EP | disclosed |