⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21467451 | 0.77 | — | — | |
| SCHEMBL11344330 | 0.75 | CALM1 (0.50) | — | |
| SCHEMBL7929243 | 0.71 | — | — | |
| SCHEMBL22541636 | 0.71 | — | — | |
| SCHEMBL27526990 | 0.71 | — | — | |
| Water SCHEMBL27951299 | 0.69 | CALM1 (0.43) | — | |
| SCHEMBL275277 | 0.69 | CALM1 (0.43) | — | |
| Trimethylammonium SCHEMBL28358083 | 0.67 | TSHR (0.50) | — | |
| SCHEMBL28882809 | 0.67 | ALDH1A1 (0.48) | — | |
| SCHEMBL24136073 | 0.65 | TP53 (0.42) | — |
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 7 patents. 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 | claimed |
| CN-112204044-A | Method for producing phosphinobenzylborane derivative, method for producing 1, 2-bis (dialkylphosphinobenzene) benzene derivative, and transition metal complex | 日本化学工业株式会社 | 2021-01-08 | — | — | CN | claimed |
| 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 |
| 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 |
| CN-112204044-A | Method for producing phosphinobenzylborane derivative, method for producing 1, 2-bis (dialkylphosphinobenzene) benzene derivative, and transition metal complex | 日本化学工业株式会社 | 2021-01-08 | — | — | CN | disclosed |
| CN-112204044-A | Method for producing phosphinobenzylborane derivative, method for producing 1, 2-bis (dialkylphosphinobenzene) benzene derivative, and transition metal complex | 日本化学工业株式会社 | 2021-01-08 | — | — | CN | disclosed |
| CN-112204044-A | Method for producing phosphinobenzylborane derivative, method for producing 1, 2-bis (dialkylphosphinobenzene) benzene derivative, and transition metal complex | 日本化学工业株式会社 | 2021-01-08 | — | — | CN | disclosed |