⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3695209 | 0.63 | — | — | |
| SCHEMBL12487885 | 0.56 | — | — | |
| SCHEMBL10806379 | 0.55 | — | — | |
| SCHEMBL11473897 | 0.55 | — | — | |
| SCHEMBL5137897 | 0.55 | — | — | |
| SCHEMBL1259311 | 0.55 | — | — | |
| SCHEMBL461534 | 0.53 | — | — | |
| SCHEMBL29857 | 0.53 | — | — | |
| SCHEMBL7343082 | 0.53 | — | — | |
| SCHEMBL3331954 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100234450-A1 | Molecular targeting agents | UNIVERSITY OF IOWA RESEARCH FOUNDATION | 2010-09-16 | — | — | US | disclosed |