⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL155016 | 0.95 | — | — | |
| SCHEMBL2164254 | 0.95 | — | — | |
| SCHEMBL30831383 | 0.95 | — | — | |
| Bromide SCHEMBL4614037 | 0.90 | — | — | |
| Phosphine SCHEMBL1204086 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL21591829 | 0.90 | — | — | |
| Ethyne SCHEMBL15929298 | 0.86 | — | — | |
| SCHEMBL4612089 | 0.82 | — | — | |
| SCHEMBL4612801 | 0.79 | — | — | |
| SCHEMBL2394321 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1355912-B1 | LIGANDS AND THEIR USE | CHIROTECH TECHNOLOGY LTD (GB) | 2006-02-22 | — | — | EP | disclosed |
| US-6613922-B2 | Such as (S)-ps-ortho-Bis(bis(dimethylamino)phosphino)-(2.2)-p-cyclophane; useful as chemical intermediates for transition metal-catalysed asymmetric hydrogenation reactions | CHIROTECH TECHNOLOGY LIMITED (GB) | 2003-09-02 | — | — | US | disclosed |
| US-20020151735-A1 | Ligands and their use | MITSUBOSHI BELTING LTD. (JP) | 2002-10-17 | — | — | US | disclosed |