⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1133401 | 0.94 | — | — | |
| SCHEMBL1133404 | 0.94 | — | — | |
| SCHEMBL1133408 | 0.94 | — | — | |
| SCHEMBL1133402 | 0.94 | — | — | |
| SCHEMBL13878247 | 0.87 | CYSLTR1 (0.60) | — | |
| SCHEMBL9206929 | 0.87 | CYSLTR1 (0.56) | — | |
| SCHEMBL9206923 | 0.87 | CYSLTR1 (0.56) | — | |
| SCHEMBL202015 | 0.86 | — | — | |
| SCHEMBL1592252 | 0.86 | — | — | |
| SCHEMBL2734687 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012123506-A1 | MONTELUKAST INTERMEDIATE CAMPHORSULFONIC SALT | LABORATORIOS LESVI, S.L. (ES) | 2012-09-20 | — | — | WO | disclosed |