⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20159864 | 0.81 | TSHR (0.35) | — | |
| SCHEMBL21620152 | 0.77 | HDAC6 (0.32) | — | |
| SCHEMBL22782866 | 0.77 | — | — | |
| SCHEMBL24073327 | 0.75 | — | — | |
| SCHEMBL10296343 | 0.74 | — | — | |
| SCHEMBL25144532 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL22306115 | 0.72 | — | — | |
| SCHEMBL19936309 | 0.72 | — | — | |
| SCHEMBL23421790 | 0.72 | OPRM1 (0.40) | — | |
| SCHEMBL1731711 | 0.70 | KDM4E (0.37) | — |
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-2022272248-A1 | CBL-B MODULATORS AND USES THEREOF | NIMBUS CLIO, INC. (US) | 2022-12-29 | — | — | WO | disclosed |