⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22771105 | 1.00 | — | — | |
| SCHEMBL23234600 | 0.84 | — | — | |
| SCHEMBL4254045 | 0.73 | CA1 (0.39) | — | |
| SCHEMBL25137147 | 0.73 | CA1 (0.39) | — | |
| SCHEMBL755775 | 0.73 | TRPA1 (0.42) | — | |
| SCHEMBL23234608 | 0.67 | — | — | |
| SCHEMBL11355421 | 0.65 | — | — | |
| SCHEMBL7751334 | 0.62 | — | — | |
| SCHEMBL4768719 | 0.60 | TRPA1 (0.33) | — | |
| SCHEMBL5353766 | 0.60 | CYP3A4 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3713915-A1 | METHOD FOR PRODUCING BISPYRROLIDINE COMPOUNDS | BASF SE (DE) | 2020-09-30 | — | — | EP | disclosed |
| CN-104730154-B | A kind of discrimination method of active ingredient in burmannii flowers volatile oil | 石家庄以岭药业股份有限公司 | 2018-09-25 | — | — | CN | disclosed |