⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16406412 | 0.85 | — | — | |
| SCHEMBL12560909 | 0.85 | — | — | |
| SCHEMBL27869050 | 0.83 | — | — | |
| SCHEMBL15096849 | 0.80 | — | — | |
| SCHEMBL15096844 | 0.77 | — | — | |
| SCHEMBL17471439 | 0.77 | — | — | |
| SCHEMBL15096847 | 0.69 | — | — | |
| SCHEMBL15096846 | 0.69 | — | — | |
| SCHEMBL15096850 | 0.69 | — | — | |
| SCHEMBL12988923 | 0.69 | — | — |
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 |