⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4933511 | 1.00 | — | — | |
| SCHEMBL5287602 | 1.00 | — | — | |
| SCHEMBL4933517 | 1.00 | — | — | |
| SCHEMBL4935783 | 1.00 | — | — | |
| SCHEMBL4936535 | 1.00 | — | — | |
| SCHEMBL7710741 | 0.97 | FDPS (0.30) | — | |
| SCHEMBL7707467 | 0.97 | FDPS (0.30) | — | |
| SCHEMBL7707465 | 0.97 | FDPS (0.30) | — | |
| SCHEMBL7708122 | 0.78 | CHRM5 (0.32) | — | |
| SCHEMBL7708081 | 0.78 | KCNA5 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080194841-A1 | Preparation of Optically Pure Beta-Amino Acids Having Affinity for the Alpha-Delta Protein | PFIZER INC. | 2008-08-14 | — | — | US | disclosed |
| EP-1863780-A1 | PREPARATION OF OPTICALLY PURE BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN | Pharmacia & Upjohn Company LLC (US) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006100568-A1 | PREPARATION OF OPTICALLY PURE BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN | PHARMACIA & UPJOHN COMPANY LLC (US) | 2006-09-28 | — | — | WO | disclosed |
| US-6359174-B1 | REACTING ALLYL REACTANT WITH ACID CHLORIDE IN PRESENCE OF LEWIS ACID CATALYST | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2002-03-19 | — | — | US | disclosed |