⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19056263 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL5078582 | 0.80 | — | — | |
| SCHEMBL14735606 | 0.76 | — | — | |
| SCHEMBL17698616 | 0.74 | — | — | |
| SCHEMBL4953467 | 0.74 | — | — | |
| SCHEMBL14775403 | 0.74 | — | — | |
| SCHEMBL1083071 | 0.74 | — | — | |
| SCHEMBL18240643 | 0.73 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL17836043 | 0.71 | — | — | |
| SCHEMBL17698527 | 0.71 | — | — |
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-1473323-B1 | Polyethylene composition and process for producing same | TOSOH CORP (JP) | 2016-04-27 | — | — | EP | disclosed |