⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4195926 | 1.00 | — | — | |
| SCHEMBL4195933 | 1.00 | — | — | |
| SCHEMBL14200168 | 0.79 | — | — | |
| SCHEMBL15483305 | 0.77 | TSHR (0.45) | — | |
| SCHEMBL9285641 | 0.72 | — | — | |
| SCHEMBL14008633 | 0.72 | NPSR1 (0.58) | — | |
| SCHEMBL14483384 | 0.71 | — | — | |
| SCHEMBL13850259 | 0.69 | — | — | |
| SCHEMBL14212817 | 0.69 | — | — | |
| SCHEMBL17619384 | 0.69 | NPSR1 (0.48) | — |
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-20090247743-A1 | PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN | PFIZER INC | 2009-10-01 | — | — | US | disclosed |
| EP-1768952-A2 | PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN | Warner-Lambert Company LLC (US) | 2007-04-04 | — | — | EP | disclosed |
| WO-2006100606-A2 | PREPARATION OF BETA-AMINO ACID PRECURSORS VIA INDIUM (III) MEDIATED MARKOVNIKOV ADDITION AND KNOEVENAGEL CONDENSATION | WARNER-LAMBERT COMPANY LLC (US) | 2006-09-28 | — | — | WO | disclosed |
| WO-2006008612-A2 | PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN | WARNER-LAMBERT COMPANY LLC (US) | 2006-01-26 | — | — | WO | disclosed |