⚠ 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 | |
|---|---|---|---|---|
| Imidazole SCHEMBL1164212 | 0.97 | — | — | |
| Imidazole SCHEMBL28118498 | 0.94 | — | — | |
| Imidazole SCHEMBL5798062 | 0.91 | ALDH1A1 (0.93) | — | |
| Imidazole SCHEMBL5941322 | 0.91 | — | — | |
| Imidazole SCHEMBL11860029 | 0.91 | ALDH1A1 (0.93) | — | |
| Tetramethylammonium Ion SCHEMBL28143343 | 0.88 | ALDH1A1 (0.77) | — | |
| Imidazole SCHEMBL28109905 | 0.88 | — | — | |
| Imidazole SCHEMBL27607394 | 0.88 | — | — | |
| Imidazole SCHEMBL7479273 | 0.88 | — | — | |
| Imidazole SCHEMBL27787391 | 0.88 | ALDH1A1 (0.87) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101516353-B | controlled release oral formulations comprising a core and one or more barrier layers | JAGOTEC AG | 2013-10-16 | — | — | CN | disclosed |