⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2237974 | 0.94 | PTGS1 (0.33) | — | |
| SCHEMBL2236880 | 0.91 | — | — | |
| SCHEMBL2234457 | 0.91 | PTGS1 (0.35) | — | |
| SCHEMBL2386101 | 0.90 | KDM4E (0.31) | — | |
| SCHEMBL2236653 | 0.90 | — | — | |
| SCHEMBL2235919 | 0.89 | PTGS1 (0.34) | — | |
| SCHEMBL2236137 | 0.85 | — | — | |
| SCHEMBL2233695 | 0.84 | PTGS1 (0.31) | — | |
| SCHEMBL2235904 | 0.84 | — | — | |
| SCHEMBL2235794 | 0.84 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8461365-B2 | Metallocene complex and polymerization method of olefin | JAPAN POLYPROPYLENE CORPORATION (JP) | 2013-06-11 | — | — | US | disclosed |
| US-20110230622-A1 | METALLOCENE COMPLEX AND POLYMERIZATION METHOD OF OLEFIN | JAPAN POLYPROPYLENE CORPORATION (JP) | 2011-09-22 | — | — | US | disclosed |