⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19981080 | 0.65 | — | — | |
| SCHEMBL3130206 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL1073522 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL1072727 | 0.64 | — | — | |
| SCHEMBL3124352 | 0.64 | — | — | |
| SCHEMBL23452887 | 0.64 | — | — | |
| SCHEMBL944580 | 0.64 | — | — | |
| SCHEMBL23457661 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL2246166 | 0.61 | — | — | |
| SCHEMBL19533151 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2673315-A1 | POLYETHYLENE FILMS | Equistar Chemicals, LP (US) | 2013-12-18 | — | — | EP | disclosed |
| WO-2012109246-A1 | POLYETHYLENE FILMS | EQUISTAR CHEMICALS, LP (US) | 2012-08-16 | — | — | WO | disclosed |