⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9685846 | 1.00 | — | — | |
| SCHEMBL13181713 | 0.75 | — | — | |
| SCHEMBL13035835 | 0.75 | — | — | |
| SCHEMBL8298016 | 0.75 | — | — | |
| SCHEMBL9124181 | 0.70 | — | — | |
| SCHEMBL1864942 | 0.70 | — | — | |
| SCHEMBL8145989 | 0.70 | — | — | |
| SCHEMBL1992557 | 0.70 | — | — | |
| SCHEMBL8415358 | 0.70 | — | — | |
| SCHEMBL8145993 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8440626-B2 | Antineoplastic peptides | ABBOTT GMBH & CO. KG (DE) | 2013-05-14 | — | — | US | disclosed |
| EP-0486246-A1 | Heat-developable photosensitive material | CANON KABUSHIKI KAISHA (JP) | 1992-05-20 | — | — | EP | disclosed |