⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL13560507 | 0.72 | — | — | |
| SCHEMBL11573165 | 0.71 | — | — | |
| SCHEMBL7705690 | 0.70 | — | — | |
| SCHEMBL5463 | 0.65 | — | — | |
| SCHEMBL1048303 | 0.65 | — | — | |
| SCHEMBL8072914 | 0.65 | TSHR (0.32) | — | |
| SCHEMBL8716070 | 0.63 | — | — | |
| SCHEMBL452031 | 0.63 | — | — | |
| SCHEMBL4973822 | 0.61 | — | — | |
| SCHEMBL11028841 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6380277-B1 | AS POLYMERIZATION CATALYST, USED FOR THE RADIATION CURING OF CATIONICALLY CURING FORMULATIONS | GOLDSCHMIDT AG (DE) | 2002-04-30 | — | — | US | disclosed |
| EP-0362137-A2 | Molded polymers with hydrophilic surfaces, and process for making them | CIBA-GEIGY AG (CH) | 1990-04-04 | — | — | EP | disclosed |