⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL817807 | 0.81 | — | — | |
| SCHEMBL12475632 | 0.77 | LMNA (0.31) | — | |
| Hydrochloric Acid SCHEMBL817808 | 0.77 | — | — | |
| SCHEMBL2527188 | 0.72 | — | — | |
| SCHEMBL27527194 | 0.71 | CYP19A1 (0.32) | — | |
| SCHEMBL4063284 | 0.69 | — | — | |
| SCHEMBL4094228 | 0.69 | — | — | |
| SCHEMBL4089088 | 0.69 | — | — | |
| SCHEMBL8456230 | 0.69 | — | — | |
| SCHEMBL7636655 | 0.68 | CYP19A1 (0.30) | — |
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 |