⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6067472 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL23160883 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL23160906 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL6066616 | 0.66 | — | — | |
| SCHEMBL7549565 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL7546502 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL6066840 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL23160882 | 0.62 | — | — | |
| SCHEMBL6405979 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL6067109 | 0.60 | — | — |
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 |