⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL235239 | 0.89 | TSHR (0.30) | — | |
| SCHEMBL234237 | 0.86 | — | — | |
| SCHEMBL231672 | 0.86 | — | — | |
| SCHEMBL233658 | 0.81 | — | — | |
| SCHEMBL182151 | 0.69 | TP53 (0.36) | — | |
| SCHEMBL235002 | 0.67 | KMT2A (0.31) | — | |
| SCHEMBL231583 | 0.66 | — | — | |
| SCHEMBL234100 | 0.65 | — | — | |
| SCHEMBL233912 | 0.63 | — | — | |
| SCHEMBL234609 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2360190-A1 | SOLID CATALYST COMPONENT AND CATALYST FOR POLYMERIZATION OF OLEFINS, AND PROCESS FOR PRODUCTION OF OLEFIN POLYMERS USING SAME | Toho Titanium CO., LTD. (JP) | 2011-08-24 | — | — | EP | disclosed |