⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13223274 | 0.87 | — | — | |
| SCHEMBL1014669 | 0.86 | — | — | |
| SCHEMBL1013596 | 0.85 | — | — | |
| SCHEMBL8270883 | 0.85 | TET3 (0.39) | — | |
| SCHEMBL8261915 | 0.85 | TET3 (0.39) | — | |
| SCHEMBL5528853 | 0.83 | — | — | |
| SCHEMBL3042907 | 0.81 | CYP3A4 (0.34) | — | |
| SCHEMBL3058114 | 0.81 | METAP2 (0.41) | — | |
| SCHEMBL3044103 | 0.81 | CYP3A4 (0.33) | — | |
| SCHEMBL1014453 | 0.80 | METAP2 (0.33) | — |
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-20100204159-A1 | ORGANIC COMPOUNDS AND THEIR USES | NOVARTIS AG (CH) | 2010-08-12 | — | — | US | disclosed |