⚠ 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 SCHEMBL6432319 | 0.95 | — | — | |
| SCHEMBL27476502 | 0.78 | AKR1C3 (0.30) | — | |
| SCHEMBL8104299 | 0.72 | CYP2D6 (0.30) | — | |
| Ethylene SCHEMBL8661745 | 0.70 | — | — | |
| SCHEMBL7538003 | 0.70 | — | — | |
| 1,1-Dichloroethene SCHEMBL9054669 | 0.70 | — | — | |
| SCHEMBL813889 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL818983 | 0.69 | — | — | |
| SCHEMBL11775856 | 0.69 | TLR4 (0.31) | — | |
| Ethylene SCHEMBL9248318 | 0.69 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0844277-B1 | Medium density polyethylene compositions for film applications | TOTAL PETROCHEMICALS RES FELUY (BE) | 2005-08-31 | — | — | EP | claimed |