⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8518141 | 0.67 | TDP1 (0.30) | — | |
| SCHEMBL10438739 | 0.66 | — | — | |
| SCHEMBL17968251 | 0.64 | — | — | |
| SCHEMBL8014521 | 0.64 | — | — | |
| SCHEMBL11336792 | 0.63 | — | — | |
| SCHEMBL711448 | 0.61 | — | — | |
| SCHEMBL27910159 | 0.61 | — | — | |
| SCHEMBL449265 | 0.60 | — | — | |
| SCHEMBL27743752 | 0.60 | TSHR (0.41) | — | |
| SCHEMBL9057931 | 0.59 | — | — |
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-0872502-B1 | Water-dispersed radiation-curable polyurethanes | SYNTHOPOL CHEMIE DR KOCH (DE) | 2003-06-04 | — | — | EP | disclosed |
| EP-0872502-A1 | Water-dispersible radiation-curable polyurethanes | SYNTHOPOL CHEMIE Dr. rer. pol. Koch GmbH & CO. KG (DE) | 1998-10-21 | — | — | EP | disclosed |