⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6397891 | 0.93 | — | — | |
| SCHEMBL1533147 | 0.91 | GAA (0.30) | — | |
| SCHEMBL6391372 | 0.91 | — | — | |
| SCHEMBL6239896 | 0.90 | GAA (0.30) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL3366125 | 0.90 | HPGD (0.32) | — | |
| SCHEMBL3366135 | 0.90 | — | — | |
| SCHEMBL6399791 | 0.89 | — | — | |
| SCHEMBL6392635 | 0.89 | CA1 (0.31) | — | |
| SCHEMBL3363653 | 0.88 | ALDH1A1 (0.34) | — | |
| SCHEMBL3363116 | 0.84 | RORC (0.32) | — |
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-20050227990-A1 | Aminoalkoxy-functional chalcones | LICA PHARMACEUTICALS A/S (DK) | 2005-10-13 | — | — | US | claimed |