⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5167622 | 0.78 | TUBB1 (0.31) | — | |
| SCHEMBL5166900 | 0.78 | — | — | |
| SCHEMBL13656715 | 0.75 | — | — | |
| SCHEMBL22688372 | 0.69 | THRB (0.36) | — | |
| SCHEMBL12701446 | 0.67 | — | — | |
| SCHEMBL23172430 | 0.66 | — | — | |
| SCHEMBL19713405 | 0.64 | — | — | |
| SCHEMBL87230 | 0.62 | — | — | |
| SCHEMBL17552593 | 0.62 | — | — | |
| SCHEMBL107647 | 0.61 | PKM (0.35) | — |
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-5728641-A | Catalyst component for the polymerization of olefins | NIPPON OIL COMPANY, LIMITED (JP) | 1998-03-17 | — | — | US | disclosed |
| US-5556821-A | Catalyst component for the polymerization of olefins | NIPPON OIL COMPANY, LIMITED (JP) | 1996-09-17 | — | — | US | disclosed |