⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1400950 | 0.90 | CBLB (0.34) | — | |
| SCHEMBL1592247 | 0.90 | CBLB (0.34) | — | |
| SCHEMBL5502331 | 0.84 | POLB (0.38) | — | |
| SCHEMBL3779589 | 0.83 | PLA2G2A (0.36) | — | |
| SCHEMBL9339015 | 0.78 | CBLB (0.41) | — | |
| SCHEMBL5493627 | 0.76 | POLB (0.38) | — | |
| SCHEMBL2791966 | 0.75 | MEN1 (0.44) | — | |
| SCHEMBL3773863 | 0.75 | PLA2G2A (0.36) | — | |
| SCHEMBL1401179 | 0.75 | PLA2G2A (0.36) | — | |
| SCHEMBL5498778 | 0.74 | POLB (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1812394-A2 | PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS | Matrix Laboratories Ltd (IN) | 2007-08-01 | — | — | EP | claimed |
| WO-2006008751-A2 | PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS | MATRIX LABORATORIES LTD (IN) | 2006-01-26 | — | — | WO | claimed |