⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8328593 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL6753455 | 0.67 | — | — | |
| SCHEMBL83729 | 0.66 | — | — | |
| SCHEMBL316015 | 0.62 | — | — | |
| SCHEMBL1617987 | 0.62 | TSHR (0.33) | — | |
| SCHEMBL19170657 | 0.60 | — | — | |
| SCHEMBL21236597 | 0.60 | — | — | |
| SCHEMBL2223515 | 0.59 | TSHR (0.39) | — | |
| SCHEMBL2804547 | 0.57 | — | — | |
| SCHEMBL10514508 | 0.56 | TSHR (0.36) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1245551-B1 | 1,2-BIS(METHYL(1,1,3,3-TETRAMETHYLBUTYL)-PHOSPHINO)ETHANE, PROCESS FOR THE PREPARATION THEREOF, TRANSITION METAL COMPLEXES CONTAINING THE SAME AS THE LIGAND AND USES THEREOF | NIPPON CHEMICAL IND COMPANY LT (JP) | 2003-11-19 | — | — | EP | disclosed |
| US-6603032-B1 | Novel bisphosphine compound having a chiral center on the phosphorus atom, which is suitable as a ligand for an asymmetric catalyst for use in asymmetric hydrogenation, this bisphosphine compound having a given structure | NIPPON CHEMICAL INDUSTRIES CO., LTD. (JP) | 2003-08-05 | — | — | US | disclosed |
| EP-1245551-A1 | 1,2-BIS(METHYL(1,1,3,3-TETRAMETHYLBUTYL)-PHOSPHINO)ETHANE, PROCESS FOR THE PREPARATION THEREOF, TRANSITION METAL COMPLEXES CONTAINING THE SAME AS THE LIGAND AND USES THEREOF | NIPPON CHEMICAL INDUSTRIAL COMPANY LIMITED (JP) | 2002-10-02 | — | — | EP | disclosed |
| US-6177591-B1 | REACTING AN OPTICALLY ACTIVE 1-PHENYLETHYLAMINE WITH A RACEMIC DIHYDROCARBYLCARBOXYALKYLENE PHOSPHINE OXIDE; SEPARATING THE DIASTERIOMERIC SALTS USING THE DIFFERENCE IN SOLUBILITY IN A SOLVENT; DECOMPOSING THE SALT WITH AN ACID | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2001-01-23 | — | — | US | disclosed |
| US-6121494-A | Method of producing optically active vinyl phosphine oxide | NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) | 2000-09-19 | — | — | US | disclosed |