⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21978440 | 0.84 | — | — | |
| SCHEMBL21978863 | 0.82 | — | — | |
| SCHEMBL30191591 | 0.81 | CXCR4 (0.31) | — | |
| SCHEMBL27230179 | 0.81 | GBA1 (0.37) | — | |
| SCHEMBL29323071 | 0.81 | GBA1 (0.37) | — | |
| SCHEMBL25112162 | 0.81 | GBA1 (0.37) | — | |
| SCHEMBL10034550 | 0.78 | QPCT (0.35) | — | |
| SCHEMBL15108634 | 0.78 | QPCT (0.35) | — | |
| SCHEMBL28289028 | 0.78 | QPCT (0.35) | — | |
| SCHEMBL30191486 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11866428-B2 | Bicyclic heterocycle compounds and their uses in therapy | ASTEX THERAPEUTICS LIMITED (GB) | 2024-01-09 | — | — | US | disclosed |