⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7206306 | 0.80 | HTR2A (0.42) | — | |
| SCHEMBL7211209 | 0.78 | HTR2A (0.44) | — | |
| SCHEMBL7547350 | 0.77 | — | — | |
| SCHEMBL7545657 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL6066625 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL6067120 | 0.73 | — | — | |
| SCHEMBL7542934 | 0.73 | LMNA (0.30) | — | |
| SCHEMBL6067481 | 0.68 | HTR2A (0.30) | — | |
| Hydrochloric Acid SCHEMBL6066855 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL6066610 | 0.67 | — | — |
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-7148173-B2 | Catalytic systems for the polymerization and copolymerization of alpha-olefins | REPSOL QUIMICA, S.A. (ES) | 2006-12-12 | — | — | US | claimed |