⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL537760 | 0.82 | — | — | |
| SCHEMBL25769565 | 0.78 | — | — | |
| SCHEMBL4762344 | 0.78 | HCRTR2 (0.38) | — | |
| SCHEMBL11991405 | 0.78 | HCRTR2 (0.38) | — | |
| SCHEMBL13177785 | 0.76 | — | — | |
| SCHEMBL25144021 | 0.74 | SHBG (0.30) | — | |
| SCHEMBL184319 | 0.74 | — | — | |
| SCHEMBL12855787 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL14559904 | 0.73 | DEGS1 (0.31) | — | |
| SCHEMBL25136070 | 0.72 | — | — |
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-2011140310-A2 | POVIDONE-IODINE TOPICAL COMPOSITION | MICRODERMIS CORPORATION (US) | 2011-11-10 | — | — | WO | disclosed |