⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3925982 | 0.81 | — | — | |
| SCHEMBL160479 | 0.79 | — | — | |
| SCHEMBL2200164 | 0.78 | — | — | |
| SCHEMBL1781553 | 0.76 | — | — | |
| SCHEMBL3400816 | 0.75 | HSD17B10 (0.30) | — | |
| SCHEMBL5030081 | 0.74 | HSD17B10 (0.33) | — | |
| SCHEMBL4639827 | 0.73 | — | — | |
| SCHEMBL9820065 | 0.71 | — | — | |
| SCHEMBL9798616 | 0.71 | HSD17B10 (0.35) | — | |
| SCHEMBL7022350 | 0.70 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1907192-B1 | RAPID-PROTOTYPING METHOD AND USE IN THE METHOD OF A RADIATION-HARDENABLE COMPOSITION | UNIV WIEN TECH (AT) | 2008-11-19 | — | — | EP | claimed |