⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21829135 | 0.75 | PPM1B (0.31) | — | |
| SCHEMBL7061876 | 0.74 | — | — | |
| SCHEMBL28226378 | 0.73 | — | — | |
| Water SCHEMBL28266890 | 0.71 | — | — | |
| SCHEMBL23175170 | 0.69 | — | — | |
| SCHEMBL3744193 | 0.69 | PPM1B (0.33) | — | |
| SCHEMBL5032256 | 0.69 | CYP1A2 (0.31) | — | |
| SCHEMBL3741841 | 0.68 | PPM1B (0.32) | — | |
| SCHEMBL637634 | 0.68 | PPM1B (0.35) | — | |
| SCHEMBL5117562 | 0.67 | CYP1A2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010113188-A1 | FLUORURATED SILICONIC POLYMER, SYNTHESIS METHOD AND USE | MAFLON S.R.L. (IT) | 2010-10-07 | — | — | WO | disclosed |