⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7246311 | 1.00 | — | — | |
| SCHEMBL7627021 | 0.88 | MAOB (0.34) | — | |
| SCHEMBL4454227 | 0.88 | MAOB (0.34) | — | |
| SCHEMBL7180174 | 0.85 | MAOB (0.37) | — | |
| SCHEMBL7180179 | 0.85 | MAOB (0.37) | — | |
| SCHEMBL7669289 | 0.82 | MMP1 (0.33) | — | |
| SCHEMBL5678404 | 0.81 | PDCD1 (0.33) | — | |
| SCHEMBL7629353 | 0.79 | — | — | |
| SCHEMBL7629051 | 0.79 | NPC1 (0.31) | — | |
| SCHEMBL31253552 | 0.78 | PDCD1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6630545-B2 | Polymerization catalyst of a metal complex with anionic, polycyclic, fused ring ligand system containing at least 4 fused rings, a cocatalyst and a butadiene or pentadiene | THE DOW CHEMICAL COMPANY | 2003-10-07 | — | — | US | disclosed |