⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1133402 | 1.00 | — | — | |
| SCHEMBL1133408 | 1.00 | — | — | |
| SCHEMBL1133401 | 1.00 | — | — | |
| SCHEMBL12526232 | 0.94 | — | — | |
| SCHEMBL2543420 | 0.92 | — | — | |
| SCHEMBL1132498 | 0.91 | — | — | |
| SCHEMBL2547277 | 0.91 | — | — | |
| SCHEMBL8790589 | 0.89 | — | — | |
| SCHEMBL13878247 | 0.89 | CYSLTR1 (0.60) | — | |
| SCHEMBL9206923 | 0.88 | CYSLTR1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2552892-A1 | EFFICIENT SYNTHESIS FOR THE PREPARATION OF MONTELUKAST AND NOVEL CRYSTALLINE FORM OF INTERMEDIATES THEREIN | KRKA, D.D., Novo Mesto (SI) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011121091-A1 | EFFICIENT SYNTHESIS FOR THE PREPARATION OF MONTELUKAST AND NOVEL CRYSTALLINE FORM OF INTERMEDIATES THEREIN | KRKA, D.D., NOVO MESTO (SI) | 2011-10-06 | — | — | WO | disclosed |
| EP-2287154-A1 | Efficient synthesis for the preparation of montelukast | KRKA, D.D., Novo Mesto (SI) | 2011-02-23 | — | — | EP | disclosed |