⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30153113 | 1.00 | — | — | |
| SCHEMBL24820486 | 0.91 | CBLB (0.33) | — | |
| SCHEMBL30153074 | 0.91 | CBLB (0.33) | — | |
| SCHEMBL30152563 | 0.88 | CBLB (0.33) | — | |
| SCHEMBL24818771 | 0.88 | CBLB (0.33) | — | |
| SCHEMBL24820101 | 0.88 | HDAC3 (0.33) | — | |
| SCHEMBL30153081 | 0.88 | HDAC3 (0.33) | — | |
| SCHEMBL24818959 | 0.87 | VSIR (0.36) | — | |
| SCHEMBL30153031 | 0.87 | VSIR (0.36) | — | |
| SCHEMBL24821966 | 0.86 | VSIR (0.31) | — |
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 |