⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10024277 | 0.91 | — | — | |
| SCHEMBL10024267 | 0.88 | — | — | |
| SCHEMBL10024272 | 0.88 | — | — | |
| SCHEMBL10024269 | 0.88 | — | — | |
| SCHEMBL10024270 | 0.85 | TP53 (0.45) | — | |
| SCHEMBL10024271 | 0.84 | PGAM1 (0.48) | — | |
| SCHEMBL10024293 | 0.84 | ACLY (0.68) | — | |
| SCHEMBL17269669 | 0.82 | KDM4E (0.50) | — | |
| SCHEMBL10024303 | 0.81 | — | — | |
| SCHEMBL10024325 | 0.81 | — | — |
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-20120083471-A1 | Novel Compounds, Pharmaceutical Compositions Containing Same, Methods of Use for Same, and Methods for Preparing Same | FAS SECURED CREDITORS HOLDCO, LLC | 2012-04-05 | — | — | US | disclosed |