⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6061210 | 0.90 | — | — | |
| Butane SCHEMBL6918003 | 0.83 | HTR2A (0.34) | — | |
| SCHEMBL144110 | 0.80 | HTR2A (0.34) | — | |
| SCHEMBL29474419 | 0.80 | HTR2A (0.34) | — | |
| Methane SCHEMBL5838214 | 0.78 | HTR2A (0.33) | — | |
| Hydrochloric Acid SCHEMBL5839045 | 0.78 | HTR2A (0.33) | — | |
| Hydrochloric Acid SCHEMBL60271 | 0.78 | HTR2A (0.33) | — | |
| Bromide SCHEMBL6910226 | 0.77 | KDM4E (0.33) | — | |
| Chloromethane SCHEMBL3682989 | 0.77 | HTR6 (0.33) | — | |
| SCHEMBL1617737 | 0.76 | SIGMAR1 (0.38) | — |
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-20060142147-A1 | Catalysts compositions for the polymerization and copolymerization of alpha-olefins | REPSOL QUIMICA, S.A. (ES) | 2006-06-29 | — | — | US | disclosed |