⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL457832 | 0.92 | — | — | |
| SCHEMBL202013 | 0.92 | — | — | |
| SCHEMBL202014 | 0.92 | — | — | |
| SCHEMBL8761819 | 0.92 | — | — | |
| SCHEMBL202012 | 0.92 | — | — | |
| SCHEMBL202015 | 0.92 | — | — | |
| Water SCHEMBL1133115 | 0.91 | — | — | |
| Water SCHEMBL2564078 | 0.91 | — | — | |
| Water SCHEMBL7951968 | 0.91 | — | — | |
| Water SCHEMBL1133112 | 0.91 | — | — |
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-20080319007-A1 | DEUTERIUM-ENRICHED MONTELUKAST | PROTIA, LLC (US) | 2008-12-25 | — | — | US | disclosed |