⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4758198 | 0.91 | — | — | |
| SCHEMBL15313129 | 0.88 | — | — | |
| SCHEMBL2522715 | 0.85 | BRD4 (0.31) | — | |
| SCHEMBL6911663 | 0.84 | — | — | |
| SCHEMBL9937426 | 0.83 | GPR84 (0.31) | — | |
| SCHEMBL2524114 | 0.83 | GPR84 (0.31) | — | |
| SCHEMBL2523910 | 0.82 | BRD4 (0.33) | — | |
| SCHEMBL6910359 | 0.79 | — | — | |
| SCHEMBL29287786 | 0.79 | — | — | |
| SCHEMBL5754511 | 0.79 | GPR84 (0.32) | — |
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-20040260107-A1 | Organometallic transition metal compound, biscyclopentadienyl ligand system, catalyst system and preparation of polyolefins | EQUISTAR CHEMICALS, LP | 2004-12-23 | — | — | US | disclosed |