⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10027690 | 0.95 | — | — | |
| SCHEMBL1396780 | 0.95 | — | — | |
| SCHEMBL13971703 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL14670343 | 0.94 | — | — | |
| SCHEMBL9583242 | 0.88 | — | — | |
| SCHEMBL626096 | 0.88 | — | — | |
| SCHEMBL30360356 | 0.88 | — | — | |
| SCHEMBL9583252 | 0.88 | — | — | |
| SCHEMBL13381684 | 0.88 | — | — | |
| SCHEMBL30360325 | 0.88 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110112300-A1 | IMPROVED PROCESS FOR PREPARING MONTELUKAST AND SALTS THEREOF | Aptuit Laurus Pvt. Ltd. (IN) | 2011-05-12 | — | — | US | disclosed |