⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1562354 | 0.80 | — | — | |
| SCHEMBL5164952 | 0.69 | MMP8 (0.32) | — | |
| SCHEMBL27860352 | 0.68 | — | — | |
| SCHEMBL28847308 | 0.65 | — | — | |
| SCHEMBL7286289 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL680377 | 0.61 | — | — | |
| SCHEMBL17482229 | 0.61 | TSHR (0.32) | — | |
| SCHEMBL4234783 | 0.61 | TSHR (0.32) | — | |
| SCHEMBL5705905 | 0.61 | TSHR (0.32) | — | |
| SCHEMBL5618876 | 0.60 | TSHR (0.33) | — |
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-2012032209-A2 | PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DRY EYE | UNIVERSIDAD MIGUEL HERNÁNDEZ DE ELCHE (ES) | 2012-03-15 | — | — | WO | disclosed |