⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2432085 | 0.90 | BRD4 (0.30) | — | |
| SCHEMBL4209308 | 0.86 | BRD4 (0.30) | — | |
| SCHEMBL7198504 | 0.86 | GCGR (0.30) | — | |
| SCHEMBL27670352 | 0.85 | ADORA3 (0.31) | — | |
| SCHEMBL7636426 | 0.84 | — | — | |
| SCHEMBL7084090 | 0.84 | ADORA3 (0.30) | — | |
| SCHEMBL2234309 | 0.84 | EDNRB (0.30) | — | |
| Hydrochloric Acid SCHEMBL2234623 | 0.83 | — | — | |
| SCHEMBL689816 | 0.82 | — | — | |
| SCHEMBL7188445 | 0.81 | EDNRB (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-20040048992-A1 | Process for preparation of salt-like chemical compound, and its use in catalyst systems for preparing polyolefins | EQUISTAR CHEMICALS, LP | 2004-03-11 | — | — | US | disclosed |