⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17096505 | 0.93 | PTGS1 (0.34) | — | |
| SCHEMBL17060102 | 0.92 | PTGS1 (0.30) | — | |
| SCHEMBL17060055 | 0.91 | PTGS1 (0.33) | — | |
| SCHEMBL17060062 | 0.89 | PTGS1 (0.32) | — | |
| SCHEMBL17060106 | 0.88 | — | — | |
| SCHEMBL17060152 | 0.87 | PTGS1 (0.32) | — | |
| SCHEMBL17060049 | 0.87 | PTGS1 (0.32) | — | |
| SCHEMBL17060176 | 0.86 | PTGS1 (0.32) | — | |
| SCHEMBL17097027 | 0.86 | CHRM2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL17096949 | 0.85 | PTGS1 (0.31) | — |
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-9902749-B2 | Metallocene complex and olefin polymerization method | JAPAN POLYPROPYLENE CORPORATION (JP) | 2018-02-27 | — | — | US | disclosed |
| US-20150266914-A1 | METALLOCENE COMPLEX AND OLEFIN POLYMERIZATION METHOD | JAPAN POLYPROPYLENE CORPORATION (JP) | 2015-09-24 | — | — | US | disclosed |