⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23580614 | 0.83 | KDM1A (0.31) | — | |
| SCHEMBL23580616 | 0.83 | KDM1A (0.31) | — | |
| SCHEMBL23608548 | 0.83 | KDM1A (0.31) | — | |
| SCHEMBL23580042 | 0.80 | GAA (0.30) | — | |
| SCHEMBL29883321 | 0.80 | GAA (0.30) | — | |
| SCHEMBL23580353 | 0.80 | — | — | |
| SCHEMBL23609372 | 0.79 | RECQL (0.33) | — | |
| SCHEMBL28849954 | 0.79 | — | — | |
| SCHEMBL23580107 | 0.77 | — | — | |
| SCHEMBL23580015 | 0.77 | — | — |
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-114945571-A | Cyclic compounds and methods of use thereof | 薛定谔公司 | 2022-08-26 | — | — | CN | disclosed |