⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7115996 | 0.65 | PDXK (0.30) | — | |
| SCHEMBL7049656 | 0.65 | NOS2 (0.40) | — | |
| SCHEMBL9836667 | 0.59 | POLB (0.46) | — | |
| SCHEMBL106587 | 0.56 | RAPGEF4 (0.39) | — | |
| SCHEMBL28010690 | 0.56 | TP53 (0.32) | — | |
| SCHEMBL9797831 | 0.56 | PDXK (0.32) | — | |
| SCHEMBL11356059 | 0.56 | RAPGEF4 (0.39) | — | |
| Methane SCHEMBL14658320 | 0.54 | RAPGEF4 (0.38) | — | |
| Hydrogen Sulfide SCHEMBL29194420 | 0.54 | RAPGEF4 (0.38) | — | |
| SCHEMBL16476938 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3323820-A1 | SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS | Epizyme, Inc. (US) | 2018-05-23 | — | — | EP | disclosed |