⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19768925 | 0.65 | KMT2A (0.36) | — | |
| SCHEMBL3234814 | 0.64 | IDH1 (0.47) | — | |
| SCHEMBL18000112 | 0.63 | HTR7 (0.39) | — | |
| SCHEMBL16726621 | 0.62 | — | — | |
| SCHEMBL19650299 | 0.62 | — | — | |
| SCHEMBL181488 | 0.60 | TP53 (0.56) | — | |
| SCHEMBL7082497 | 0.60 | TP53 (0.56) | — | |
| SCHEMBL217938 | 0.59 | ALDH1A1 (0.57) | — | |
| SCHEMBL8952994 | 0.59 | — | — | |
| SCHEMBL1611888 | 0.58 | TP53 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023151636-A1 | HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | BEIGENE , LTD. (KY) | 2023-08-17 | — | — | WO | disclosed |
| WO-2023151641-A1 | HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH | BEIGENE , LTD. (KY) | 2023-08-17 | — | — | WO | disclosed |