⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15935305 | 0.75 | — | — | |
| SCHEMBL19184751 | 0.74 | ESR1 (0.31) | — | |
| SCHEMBL8771334 | 0.72 | PRMT3 (0.40) | — | |
| SCHEMBL19184789 | 0.70 | ESR1 (0.31) | — | |
| SCHEMBL11955066 | 0.69 | ALDH1A1 (0.44) | — | |
| SCHEMBL23565419 | 0.68 | GRM4 (0.33) | — | |
| SCHEMBL18937631 | 0.68 | — | — | |
| SCHEMBL19184943 | 0.66 | ABCB1 (0.34) | — | |
| SCHEMBL26199740 | 0.66 | — | — | |
| SCHEMBL18937621 | 0.66 | ALDH1A1 (0.30) | — |
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-20230277534-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON INC. | 2023-09-07 | — | — | US | disclosed |