⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9402920 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL3142027 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL10909682 | 0.74 | TSHR (0.38) | — | |
| SCHEMBL889792 | 0.74 | TSHR (0.48) | — | |
| SCHEMBL1158850 | 0.74 | — | — | |
| SCHEMBL10458129 | 0.73 | CES1 (0.53) | — | |
| SCHEMBL6120645 | 0.73 | TSHR (0.42) | — | |
| SCHEMBL5524511 | 0.72 | — | — | |
| SCHEMBL6888659 | 0.70 | — | — | |
| SCHEMBL287909 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8946476-B2 | Process for the preparation of amino acid derivatives | UCB PHARMA GMBH (DE) | 2015-02-03 | — | — | US | disclosed |
| EP-2352721-B1 | NOVEL PROCESS FOR THE PREPARATION OF AMINO ACID DERIVATIVES | UCB PHARMA GMBH (DE) | 2013-03-27 | — | — | EP | disclosed |
| US-20110263899-A1 | Novel Process for the Preparation of Amino Acid Derivatives | UCB PHARMA GMBH (DE) | 2011-10-27 | — | — | US | disclosed |
| EP-2352721-A1 | NOVEL PROCESS FOR THE PREPARATION OF AMINO ACID DERIVATIVES | UCB Pharma GmbH (DE) | 2011-08-10 | — | — | EP | disclosed |
| WO-2010052011-A1 | NOVEL PROCESS FOR THE PREPARATION OF AMINO ACID DERIVATIVES | UCB PHARMA, S.A. (BE) | 2010-05-14 | — | — | WO | disclosed |