⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10877282 | 0.59 | — | — | |
| SCHEMBL5080985 | 0.58 | — | — | |
| SCHEMBL21980597 | 0.54 | — | — | |
| SCHEMBL4378090 | 0.48 | — | — | |
| SCHEMBL15899268 | 0.47 | — | — | |
| SCHEMBL13342150 | 0.42 | — | — | |
| SCHEMBL13673997 | 0.41 | — | — | |
| SCHEMBL18029756 | 0.40 | — | — | |
| SCHEMBL11370176 | 0.40 | — | — | |
| SCHEMBL3248404 | 0.40 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1390010-A1 | ALCOHOL-FREE LIQUID CONCENTRATE FOR PRESERVING COSMETICS, HOUSEHOLD AND TECHNICAL PRODUCTS | Air Liquide Santé (International) (FR) | 2004-02-25 | — | — | EP | disclosed |
| WO-2002089759-A1 | ALCOHOL-FREE LIQUID CONCENTRATE FOR PRESERVING COSMETICS, HOUSEHOLD AND TECHNICAL PRODUCTS | AIR LIQUIDE SANTE (INTERNATIONAL) (FR) | 2002-11-14 | — | — | WO | disclosed |