⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7632252 | 0.82 | — | — | |
| SCHEMBL409015 | 0.72 | HDAC3 (0.32) | — | |
| SCHEMBL10306546 | 0.70 | CA1 (0.33) | — | |
| SCHEMBL406538 | 0.69 | — | — | |
| SCHEMBL2246279 | 0.65 | ALDH1A1 (0.50) | — | |
| SCHEMBL13019484 | 0.65 | MMP3 (0.52) | — | |
| SCHEMBL6513167 | 0.64 | APP (0.32) | — | |
| SCHEMBL13403830 | 0.61 | CYP19A1 (0.52) | — | |
| SCHEMBL13037668 | 0.61 | MMP3 (0.47) | — | |
| SCHEMBL14350423 | 0.60 | GRM5 (0.38) | — |
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-20110201661-A1 | Spiro Derivatives of Parthenin as Novel Anticancer Agents | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2011-08-18 | — | — | US | disclosed |