⚠ 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 SCHEMBL7524778 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL966075 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6811748 | 0.69 | — | — | |
| SCHEMBL27503991 | 0.69 | — | — | |
| SCHEMBL536631 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL538859 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6812192 | 0.68 | — | — | |
| SCHEMBL3893230 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL817757 | 0.68 | — | — | |
| SCHEMBL6065825 | 0.68 | — | — |
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 |