⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9422229 | 0.52 | — | — | |
| SCHEMBL10877282 | 0.50 | — | — | |
| SCHEMBL4378090 | 0.48 | — | — | |
| SCHEMBL9738527 | 0.48 | — | — | |
| SCHEMBL16069971 | 0.48 | — | — | |
| SCHEMBL18284610 | 0.46 | — | — | |
| SCHEMBL9569722 | 0.46 | — | — | |
| SCHEMBL4820114 | 0.45 | — | — | |
| SCHEMBL13176807 | 0.41 | — | — | |
| SCHEMBL11380953 | 0.41 | ALDH1A1 (0.60) | — |
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-4946951-A | ANTICARCINOGENIC AND-TUMOR AGENTS; VIRICIDES | TAIHO PHARMACEUTICAL CO., LTD. (JP) | 1990-08-07 | — | — | US | claimed |