⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8575133 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL16240026 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL11866326 | 0.73 | ALDH1A1 (0.40) | — | |
| SCHEMBL11866338 | 0.73 | ALDH1A1 (0.40) | — | |
| SCHEMBL729425 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL3264414 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL10964735 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL184300 | 0.67 | — | — | |
| SCHEMBL729428 | 0.67 | — | — | |
| SCHEMBL11130996 | 0.66 | ALDH1A1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8710293-B2 | Ultrathin fluid-absorbent cores | BASF SE (DE) | 2014-04-29 | — | — | US | disclosed |
| US-20120071848-A1 | Ultrathin Fluid-Absorbent Cores | BASF SE (DE) | 2012-03-22 | — | — | US | disclosed |
| EP-1932511-A2 | Peeling process based on a cationic microgel | L'OREAL (FR) | 2008-06-18 | — | — | EP | disclosed |