⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23281312 | 0.86 | — | — | |
| SCHEMBL11163735 | 0.84 | TBXAS1 (0.75) | — | |
| SCHEMBL4773938 | 0.84 | TBXAS1 (0.75) | — | |
| Trifluoroacetic Acid SCHEMBL14110116 | 0.83 | EGLN3 (0.56) | — | |
| SCHEMBL311448 | 0.80 | — | — | |
| SCHEMBL15127360 | 0.80 | — | — | |
| SCHEMBL6125402 | 0.79 | — | — | |
| SCHEMBL937596 | 0.79 | TBXAS1 (0.95) | — | |
| SCHEMBL9777196 | 0.79 | TBXAS1 (0.85) | — | |
| Hydrochloric Acid SCHEMBL2183500 | 0.78 | TBXAS1 (0.60) | — |
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-112384517-B | Heteroaryl compounds and uses thereof | 新旭生技股份有限公司 | 2023-07-14 | — | — | CN | disclosed |