⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12267469 | 0.90 | CYSLTR2 (0.49) | — | |
| SCHEMBL14527479 | 0.88 | CYSLTR1 (0.49) | — | |
| SCHEMBL10224774 | 0.88 | CYSLTR1 (0.49) | — | |
| SCHEMBL12856340 | 0.86 | CYSLTR2 (0.45) | — | |
| SCHEMBL14620846 | 0.85 | CYSLTR2 (0.44) | — | |
| SCHEMBL1397232 | 0.84 | CYSLTR2 (0.45) | — | |
| SCHEMBL1397268 | 0.84 | CYSLTR2 (0.45) | — | |
| SCHEMBL2028786 | 0.81 | CYP2C8 (0.56) | — | |
| SCHEMBL13699137 | 0.81 | CYP2C8 (0.56) | — | |
| SCHEMBL626376 | 0.81 | CYP2C8 (0.56) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007057225-A2 | PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR | SYNTHON B.V. (NL) | 2007-05-24 | — | — | WO | disclosed |
| WO-2007057228-A1 | A NEW INTERMEDIATE FOR MAKING MONTELUKAST AND RELATED COMPOUNDS | SYNTHON B.V. (NL) | 2007-05-24 | — | — | WO | disclosed |