⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1567791 | 0.87 | NOS3 (0.32) | — | |
| SCHEMBL1567934 | 0.87 | NOS3 (0.32) | — | |
| SCHEMBL260341 | 0.79 | — | — | |
| SCHEMBL9358053 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL8844555 | 0.67 | — | — | |
| SCHEMBL424899 | 0.67 | — | — | |
| SCHEMBL11549650 | 0.58 | — | — | |
| SCHEMBL632498 | 0.57 | CA1 (0.33) | — | |
| SCHEMBL19928721 | 0.55 | — | — | |
| SCHEMBL19090519 | 0.55 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160000927-A1 | REVERSIBLE PEGYLATED DRUGS | YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) | 2016-01-07 | — | — | US | disclosed |
| EP-1620118-A2 | REVERSIBLE PEGYLATED DRUGS | YEDA RESEARCH AND DEVELOPMENT Co. LTD. (IL) | 2006-02-01 | — | — | EP | disclosed |
| WO-2004089280-A2 | REVERSIBLE PEGYLATED DRUGS | YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) | 2004-10-21 | — | — | WO | disclosed |
| US-3974163-A | VULCANIZATION INHIBITOR | MONSANTO COMPANY (US) | 1976-08-10 | — | — | US | disclosed |