⚠ 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 | |
|---|---|---|---|---|
| Methiodal SCHEMBL1749229 | 0.96 | — | — | |
| Methiodal SCHEMBL11331334 | 0.92 | — | — | |
| Methiodal SCHEMBL11171964 | 0.92 | — | — | |
| SCHEMBL1653115 | 0.73 | — | — | |
| SCHEMBL8717669 | 0.70 | — | — | |
| SCHEMBL9768865 | 0.70 | — | — | |
| SCHEMBL11541048 | 0.70 | — | — | |
| SCHEMBL14974326 | 0.70 | CA5A (0.42) | — | |
| SCHEMBL2524419 | 0.70 | PTGS1 (0.56) | — | |
| SCHEMBL27528010 | 0.70 | — | — |
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-112654354-A | 1,3,4, 9-tetrahydro-2H-pyrido [3,4-b ] indole derivative compound and application thereof | 菲尼克思药业股份有限公司 | 2021-04-13 | — | — | CN | disclosed |