⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19925269 | 0.59 | — | — | |
| SCHEMBL10961668 | 0.59 | — | — | |
| SCHEMBL1901760 | 0.58 | — | — | |
| SCHEMBL12939753 | 0.56 | — | — | |
| SCHEMBL2825402 | 0.47 | — | — | |
| SCHEMBL18583040 | 0.47 | — | — | |
| SCHEMBL345819 | 0.47 | — | — | |
| SCHEMBL23721699 | 0.43 | — | — | |
| SCHEMBL449011 | 0.43 | — | — | |
| SCHEMBL11281122 | 0.43 | — | — |
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-8969573-B2 | Compounds for the inhibition of cellular proliferation | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2015-03-03 | — | — | US | disclosed |
| US-20130178505-A1 | Compounds for the Inhibition of Cellular Proliferation | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2013-07-11 | — | — | US | disclosed |