⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6961435 | 0.79 | PLG (0.35) | — | |
| SCHEMBL18481056 | 0.71 | — | — | |
| SCHEMBL1438806 | 0.70 | — | — | |
| SCHEMBL2366618 | 0.70 | — | — | |
| SCHEMBL1438805 | 0.70 | — | — | |
| Methane SCHEMBL9289781 | 0.68 | — | — | |
| SCHEMBL18706942 | 0.67 | OXTR (0.49) | — | |
| SCHEMBL18707169 | 0.67 | OXTR (0.49) | — | |
| SCHEMBL18707313 | 0.67 | OXTR (0.49) | — | |
| SCHEMBL12326733 | 0.67 | — | — |
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-2020052628-A1 | FURO[3,4-B]PYRROLE-CONTAINING BTK INHIBITOR | 正大天晴药业集团股份有限公司 | 2020-03-19 | — | — | WO | disclosed |