⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14226108 | 0.81 | TLR8 (0.33) | — | |
| SCHEMBL21216985 | 0.75 | — | — | |
| SCHEMBL21217155 | 0.73 | — | — | |
| SCHEMBL17340096 | 0.71 | TLR8 (0.36) | — | |
| SCHEMBL17480641 | 0.71 | PTPRB (0.30) | — | |
| SCHEMBL12848866 | 0.71 | NOS1 (0.38) | — | |
| SCHEMBL2600726 | 0.69 | NOS1 (0.44) | — | |
| SCHEMBL21211346 | 0.68 | — | — | |
| SCHEMBL17480640 | 0.67 | — | — | |
| SCHEMBL21737716 | 0.66 | — | — |
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-20210040083-A1 | GCN2 INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2021-02-11 | — | — | US | disclosed |