⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4173093 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL11232014 | 0.97 | — | — | |
| SCHEMBL1188226 | 0.79 | TSHR (0.39) | — | |
| SCHEMBL10909301 | 0.78 | — | — | |
| SCHEMBL11191939 | 0.78 | — | — | |
| SCHEMBL10674882 | 0.77 | — | — | |
| SCHEMBL10947166 | 0.74 | — | — | |
| SCHEMBL10620287 | 0.74 | — | — | |
| SCHEMBL3976946 | 0.74 | — | — | |
| SCHEMBL6931903 | 0.73 | — | — |
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-2024081311-A1 | CBL-B MODULATORS AND USES THEREOF | NIMBUS CLIO, INC. (US) | 2024-04-18 | — | — | WO | disclosed |
| WO-2024020084-A1 | HETEROARYL COMPOUNDS AS LIGAND DIRECTED DEGRADERS OF IRAK4 | BRISTOL-MYERS SQUIBB COMPANY (US) | 2024-01-25 | — | — | WO | disclosed |