⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1177826 | 0.69 | — | — | |
| SCHEMBL2093265 | 0.67 | AHR (0.38) | — | |
| SCHEMBL21381319 | 0.61 | GSK3B (0.31) | — | |
| SCHEMBL17614996 | 0.61 | — | — | |
| SCHEMBL21721216 | 0.60 | — | — | |
| SCHEMBL1097945 | 0.59 | — | — | |
| SCHEMBL15674527 | 0.56 | — | — | |
| SCHEMBL5544109 | 0.55 | — | — | |
| SCHEMBL22789104 | 0.54 | — | — | |
| SCHEMBL11985908 | 0.53 | — | — |
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-4992534-A | Anticarcinogenic agents with better water solubility, low toxicity, absorption and stability | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-02-12 | — | — | US | disclosed |