⚠ 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 SCHEMBL17698599 | 0.99 | — | — | |
| SCHEMBL7194225 | 0.88 | CES2 (0.33) | — | |
| SCHEMBL7107709 | 0.86 | MAPT (0.32) | — | |
| SCHEMBL6907142 | 0.84 | CYP1A2 (0.31) | — | |
| SCHEMBL7934592 | 0.83 | — | — | |
| SCHEMBL7106534 | 0.80 | — | — | |
| SCHEMBL7102013 | 0.80 | — | — | |
| SCHEMBL5080267 | 0.77 | CYP1A2 (0.30) | — | |
| SCHEMBL813468 | 0.75 | MEN1 (0.30) | — | |
| SCHEMBL17698580 | 0.74 | — | — |
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-A1 | Polyethylene composition and process for producing same | Tosoh Corporation (JP) | 2004-11-03 | — | — | EP | disclosed |