⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5356093 | 0.80 | SLC6A2 (0.31) | — | |
| SCHEMBL6135177 | 0.80 | SLC6A2 (0.33) | — | |
| SCHEMBL8853881 | 0.77 | SLC6A4 (0.41) | — | |
| SCHEMBL9249932 | 0.69 | — | — | |
| SCHEMBL9067101 | 0.68 | NPC1 (0.30) | — | |
| SCHEMBL7625234 | 0.66 | SLC6A2 (0.31) | — | |
| SCHEMBL6437443 | 0.66 | SLC6A2 (0.31) | — | |
| SCHEMBL6929678 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL4120454 | 0.65 | SLC6A2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7913244 | 0.65 | SLC6A2 (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7074736-B2 | Hydrozirconated matrix and process for polyolefin production | ROHM AND HAAS COMPANY (US) | 2006-07-11 | — | — | US | claimed |
| EP-1201684-A2 | Hydrozirconated matrix and process for polyolefin production | ROHM AND HAAS COMPANY (US) | 2002-05-02 | — | — | EP | claimed |
| EP-1201684-A2 | Hydrozirconated matrix and process for polyolefin production | ROHM AND HAAS COMPANY (US) | 2002-05-02 | — | — | EP | disclosed |