⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4159701 | 1.00 | — | — | |
| SCHEMBL4159055 | 1.00 | — | — | |
| SCHEMBL3778435 | 0.73 | — | — | |
| SCHEMBL575644 | 0.69 | — | — | |
| SCHEMBL18486559 | 0.63 | — | — | |
| SCHEMBL3475446 | 0.63 | — | — | |
| SCHEMBL575594 | 0.61 | — | — | |
| SCHEMBL12119111 | 0.61 | CYP2C19 (0.30) | — | |
| SCHEMBL6666474 | 0.59 | — | — | |
| SCHEMBL1092373 | 0.59 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090124820-A1 | C1-Symmetric Bisphospine Ligands and Their Use in the Asymmetric Synthesis of Pregabalin | PFIZER INC. | 2009-05-14 | — | — | US | claimed |
| EP-1727620-B1 | C1-SYMMETRIC BISPHOSPHINE LIGANDS AND THEIR USE IN THE ASYMMETRIC SYNTHESIS OF PREGABALIN | WARNER LAMBERT CO (US) | 2007-08-29 | — | — | EP | claimed |
| EP-1727620-A1 | C1-SYMMETRIC BISPHOSPHINE LIGANDS AND THEIR USE IN THE ASYMMETRIC SYNTHESIS OF PREGABALIN | Warner-Lambert Company LLC (US) | 2006-12-06 | — | — | EP | claimed |
| US-20050228190-A1 | C1-symmetric bisphosphine ligands and their use in the asymmetric synthesis of pregabalin | BAO JIAN | 2005-10-13 | — | — | US | claimed |
| WO-2005087370-A1 | C1-SYMMETRIC BISPHOSPHINE LIGANDS AND THEIR USE IN THE ASYMMETRIC SYNTHESIS OF PREGABALIN | WARNER-LAMBERT COMPANY LLC (US) | 2005-09-22 | — | — | WO | claimed |
| US-20090124820-A1 | C1-Symmetric Bisphospine Ligands and Their Use in the Asymmetric Synthesis of Pregabalin | PFIZER INC. | 2009-05-14 | — | — | US | disclosed |
| EP-1727620-B1 | C1-SYMMETRIC BISPHOSPHINE LIGANDS AND THEIR USE IN THE ASYMMETRIC SYNTHESIS OF PREGABALIN | WARNER LAMBERT CO (US) | 2007-08-29 | — | — | EP | disclosed |
| EP-1727620-A1 | C1-SYMMETRIC BISPHOSPHINE LIGANDS AND THEIR USE IN THE ASYMMETRIC SYNTHESIS OF PREGABALIN | Warner-Lambert Company LLC (US) | 2006-12-06 | — | — | EP | disclosed |
| US-20050228190-A1 | C1-symmetric bisphosphine ligands and their use in the asymmetric synthesis of pregabalin | BAO JIAN | 2005-10-13 | — | — | US | disclosed |
| WO-2005087370-A1 | C1-SYMMETRIC BISPHOSPHINE LIGANDS AND THEIR USE IN THE ASYMMETRIC SYNTHESIS OF PREGABALIN | WARNER-LAMBERT COMPANY LLC (US) | 2005-09-22 | — | — | WO | disclosed |