⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12468762 | 0.81 | HSD17B10 (0.30) | — | |
| SCHEMBL5180964 | 0.73 | HSD17B10 (0.35) | — | |
| SCHEMBL8179744 | 0.73 | CES2 (0.42) | — | |
| SCHEMBL11655024 | 0.72 | CES2 (0.38) | — | |
| SCHEMBL140921 | 0.71 | CES2 (0.46) | — | |
| SCHEMBL3925909 | 0.71 | HSD17B10 (0.33) | — | |
| SCHEMBL5803953 | 0.71 | CES1 (0.31) | — | |
| SCHEMBL22996568 | 0.69 | CES2 (0.48) | — | |
| SCHEMBL22711753 | 0.69 | CES2 (0.48) | — | |
| SCHEMBL22711612 | 0.69 | CES2 (0.48) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0670333-B1 | Watersoluble crosslinked polymer dispersions | ROEHM GMBH (DE) | 2000-01-26 | — | — | EP | disclosed |
| EP-0761701-B1 | Cured aqueous soluble polymer dispersions | STOCKHAUSEN CHEM FAB GMBH (DE) | 1999-11-03 | — | — | EP | disclosed |
| EP-0761701-A1 | Cured aqueous soluble polymer dispersions | RÖHM GMBH (DE) | 1997-03-12 | — | — | EP | disclosed |
| EP-0670333-A2 | Watersoluble crosslinked polymer dispersions | RÖHM GMBH (DE) | 1995-09-06 | — | — | EP | disclosed |