⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19642817 | 0.74 | CYP2A6 (0.39) | — | |
| Water SCHEMBL28310194 | 0.34 | — | — | |
| Water SCHEMBL10491273 | 0.34 | — | — | |
| Water SCHEMBL27607965 | 0.34 | — | — | |
| Water SCHEMBL645514 | 0.34 | — | — | |
| SCHEMBL29872180 | 0.34 | — | — | |
| Water SCHEMBL11896163 | 0.34 | — | — | |
| Water SCHEMBL7134627 | 0.34 | — | — | |
| Water SCHEMBL7134631 | 0.34 | — | — | |
| Water SCHEMBL3339575 | 0.34 | — | — |
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-20080171729-A1 | Use Of A Steroid For Enhancement Of Skin Permeability | NOVARTIS AG | 2008-07-17 | — | — | US | disclosed |