⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8350346 | 0.75 | — | — | |
| SCHEMBL10394995 | 0.74 | — | — | |
| Propane SCHEMBL9746167 | 0.73 | — | — | |
| SCHEMBL10609833 | 0.73 | — | — | |
| SCHEMBL1221766 | 0.73 | — | — | |
| SCHEMBL1203510 | 0.70 | — | — | |
| SCHEMBL10395430 | 0.70 | — | — | |
| SCHEMBL6682769 | 0.69 | — | — | |
| SCHEMBL31668801 | 0.69 | — | — | |
| SCHEMBL31668802 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008084021-A1 | PROCESS FOR MAKING POLYMER NANOCOMPOSITES | BASF SE (DE) | 2008-07-17 | — | — | WO | claimed |
| EP-0401722-B1 | Use of blowing compositions | DAIKIN IND LTD (JP) | 1996-04-24 | — | — | EP | claimed |
| WO-2008084021-A1 | PROCESS FOR MAKING POLYMER NANOCOMPOSITES | BASF SE (DE) | 2008-07-17 | — | — | WO | disclosed |