⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5515680 | 0.91 | CA12 (0.31) | — | |
| SCHEMBL5511747 | 0.87 | — | — | |
| SCHEMBL5517524 | 0.84 | — | — | |
| SCHEMBL5506985 | 0.82 | — | — | |
| SCHEMBL5511522 | 0.82 | — | — | |
| SCHEMBL5514152 | 0.80 | — | — | |
| SCHEMBL5517962 | 0.77 | CA12 (0.31) | — | |
| Hydrochloric Acid SCHEMBL5514284 | 0.76 | — | — | |
| SCHEMBL5514422 | 0.75 | — | — | |
| SCHEMBL5507472 | 0.74 | DHFR (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7208559-B2 | Ethylened polymer and molded object obtained therefrom | MITSUI CHEMICALS, INC. (JP) | 2007-04-24 | — | — | US | disclosed |
| US-20060135712-A1 | Ethylened polymer and molded object obtained therefrom | MITSUI CHEMICALS, INC. (JP) | 2006-06-22 | — | — | US | disclosed |