⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25709616 | 1.00 | — | — | |
| SCHEMBL297923 | 1.00 | — | — | |
| SCHEMBL11141709 | 0.75 | — | — | |
| SCHEMBL25453160 | 0.73 | — | — | |
| SCHEMBL9775704 | 0.73 | TSHR (0.35) | — | |
| Acetonitrile SCHEMBL1526829 | 0.72 | TDP1 (0.61) | — | |
| Acetonitrile SCHEMBL953246 | 0.72 | TDP1 (0.61) | — | |
| SCHEMBL4870362 | 0.71 | TSHR (0.33) | — | |
| SCHEMBL11197514 | 0.71 | — | — | |
| SCHEMBL10907819 | 0.71 | — | — |
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-2024081311-A1 | CBL-B MODULATORS AND USES THEREOF | NIMBUS CLIO, INC. (US) | 2024-04-18 | — | — | WO | disclosed |