⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14603960 | 0.73 | — | — | |
| SCHEMBL9194256 | 0.73 | — | — | |
| SCHEMBL14605173 | 0.73 | — | — | |
| SCHEMBL18196387 | 0.73 | — | — | |
| SCHEMBL125450 | 0.69 | TRPV6 (0.53) | — | |
| SCHEMBL14187200 | 0.69 | TRPV6 (0.45) | — | |
| SCHEMBL8869987 | 0.67 | ORAI1 (0.43) | — | |
| SCHEMBL2197441 | 0.67 | TRPV6 (0.50) | — | |
| SCHEMBL7644960 | 0.67 | TRPV6 (0.50) | — | |
| SCHEMBL500600 | 0.67 | TRPV6 (0.50) | — |
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-112204044-B | Process for producing phosphinobenzeborane derivative, process for producing 1, 2-bis (dialkylphosphino) benzene derivative, and transition metal complex | 日本化学工业株式会社 | 2023-08-29 | — | — | CN | disclosed |