⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20744129 | 0.80 | SCN9A (0.32) | — | |
| SCHEMBL14312018 | 0.76 | — | — | |
| SCHEMBL20744127 | 0.74 | — | — | |
| SCHEMBL22344982 | 0.71 | — | — | |
| SCHEMBL14151380 | 0.68 | — | — | |
| SCHEMBL14150932 | 0.67 | — | — | |
| SCHEMBL755983 | 0.66 | RIPK1 (0.35) | — | |
| SCHEMBL14151648 | 0.62 | — | — | |
| SCHEMBL12457457 | 0.62 | HASPIN (0.30) | — | |
| SCHEMBL14151135 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114555567-A | Compounds and their use for the treatment of infectious diseases and cancer | AC生命科学有限公司 | 2022-05-27 | — | — | CN | disclosed |