⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16784009 | 0.74 | — | — | |
| SCHEMBL8942615 | 0.74 | — | — | |
| SCHEMBL29857387 | 0.70 | AOC3 (0.37) | — | |
| SCHEMBL30477896 | 0.69 | — | — | |
| SCHEMBL467435 | 0.69 | — | — | |
| SCHEMBL15782802 | 0.69 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL13771797 | 0.67 | — | — | |
| SCHEMBL3145403 | 0.67 | TP53 (0.30) | — | |
| SCHEMBL30549393 | 0.65 | — | — | |
| SCHEMBL23134824 | 0.64 | — | — |
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-20160333008-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | INCYTE CORPORATION | 2016-11-17 | — | — | US | disclosed |