⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL843790 | 0.78 | — | — | |
| SCHEMBL454920 | 0.73 | — | — | |
| SCHEMBL12847430 | 0.73 | — | — | |
| SCHEMBL28844341 | 0.70 | GSK3B (0.41) | — | |
| SCHEMBL17398207 | 0.68 | CYP2A6 (0.33) | — | |
| SCHEMBL4092917 | 0.64 | — | — | |
| SCHEMBL522652 | 0.61 | CBFB (0.36) | — | |
| SCHEMBL1955558 | 0.61 | GRIA1 (0.40) | — | |
| SCHEMBL19872483 | 0.60 | PDK2 (0.38) | — | |
| SCHEMBL456570 | 0.59 | CYP3A4 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009142967-A1 | THERAPEUTIC PROSTAGLANDIN COMPOUNDS USED AS OCULAR HYPOTENSIVE AGENTS | ALLERGAN, INC. (US) | 2009-11-26 | — | — | WO | disclosed |