⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24874118 | 0.88 | MEN1 (0.32) | — | |
| SCHEMBL23692657 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL23692791 | 0.77 | — | — | |
| SCHEMBL23692800 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL19299765 | 0.76 | — | — | |
| SCHEMBL24873950 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL23692950 | 0.76 | ALOX5AP (0.33) | — | |
| SCHEMBL24896621 | 0.75 | KDM1A (0.41) | — | |
| SCHEMBL23692949 | 0.73 | KDM4E (0.35) | — | |
| SCHEMBL23693410 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021148420-A1 | NOVEL HETEROCYCLIC COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2021-07-29 | — | — | WO | disclosed |