⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27923881 | 1.00 | — | — | |
| SCHEMBL9745720 | 0.79 | — | — | |
| SCHEMBL8693912 | 0.76 | — | — | |
| SCHEMBL10931751 | 0.76 | — | — | |
| SCHEMBL27476071 | 0.72 | — | — | |
| SCHEMBL1823754 | 0.71 | — | — | |
| SCHEMBL27480969 | 0.71 | — | — | |
| SCHEMBL1823756 | 0.71 | — | — | |
| SCHEMBL8136880 | 0.69 | — | — | |
| SCHEMBL24869232 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110156775-A | A kind of pyrrole former times replaces the simple and convenient process for preparing of Buddhist nun | 新发药业有限公司 | 2019-08-23 | — | — | CN | disclosed |