⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL393938 | 0.77 | — | — | |
| SCHEMBL165217 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28509554 | 0.74 | — | — | |
| SCHEMBL27850368 | 0.69 | — | — | |
| SCHEMBL23419700 | 0.69 | — | — | |
| SCHEMBL15132109 | 0.69 | PLA2G1B (0.39) | — | |
| SCHEMBL24136997 | 0.66 | — | — | |
| SCHEMBL16188753 | 0.65 | PRMT3 (0.39) | — | |
| SCHEMBL8470817 | 0.65 | — | — | |
| SCHEMBL19965806 | 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-9782405-B2 | Heteroaryl pyridone and aza-pyrodine compounds | GENENTECH, INC. (US) | 2017-10-10 | — | — | US | disclosed |