⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9548673 | 0.91 | DUT (0.33) | — | |
| SCHEMBL9548738 | 0.87 | DUT (0.31) | — | |
| SCHEMBL9548862 | 0.85 | TK1 (0.32) | — | |
| SCHEMBL9548653 | 0.83 | DUT (0.33) | — | |
| SCHEMBL9548884 | 0.83 | — | — | |
| SCHEMBL9548654 | 0.80 | DUT (0.31) | — | |
| SCHEMBL9548762 | 0.79 | ADORA3 (0.40) | — | |
| SCHEMBL9548787 | 0.78 | DUT (0.31) | — | |
| SCHEMBL9548680 | 0.76 | ADORA3 (0.37) | — | |
| SCHEMBL9548703 | 0.75 | TK1 (0.36) | — |
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-5192749-A | Viricide, AIDS | SYNTEX (U.S.A.) INC. (US) | 1993-03-09 | — | — | US | disclosed |