⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL990611 | 0.75 | — | — | |
| SCHEMBL169096 | 0.75 | SLC15A1 (0.58) | — | |
| SCHEMBL11699203 | 0.75 | HIF1A (0.32) | — | |
| SCHEMBL29288139 | 0.73 | — | — | |
| SCHEMBL241185 | 0.73 | — | — | |
| SCHEMBL2513090 | 0.73 | — | — | |
| SCHEMBL2211759 | 0.73 | — | — | |
| SCHEMBL2845616 | 0.73 | — | — | |
| SCHEMBL2132099 | 0.73 | — | — | |
| SCHEMBL11285759 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017129829-A1 | THERAPEUTIC COMPOUNDS | C4X DISCOVERY LIMITED (GB) | 2017-08-03 | — | — | WO | disclosed |