⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3118129 | 0.67 | ALDH1A1 (0.46) | — | |
| SCHEMBL17366434 | 0.67 | — | — | |
| SCHEMBL11996153 | 0.65 | — | — | |
| SCHEMBL21174848 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL17366427 | 0.62 | — | — | |
| SCHEMBL9388936 | 0.58 | NPC1 (0.37) | — | |
| SCHEMBL2240992 | 0.56 | RAB9A (0.30) | — | |
| SCHEMBL1641273 | 0.54 | CCNB2 (0.39) | — | |
| SCHEMBL7156527 | 0.52 | JAK2 (0.31) | — | |
| SCHEMBL3630933 | 0.51 | ALDH1A1 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1483578-B1 | ARTIFICIAL RECEPTORS, BUILDING BLOCKS, AND METHODS | RECEPTORS LLC (US) | 2011-12-21 | — | — | EP | disclosed |