⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7024452 | 0.82 | MMP1 (0.53) | — | |
| SCHEMBL16196732 | 0.82 | MMP1 (0.53) | — | |
| SCHEMBL5166336 | 0.80 | — | — | |
| SCHEMBL28045868 | 0.80 | — | — | |
| SCHEMBL1039374 | 0.80 | — | — | |
| SCHEMBL7524679 | 0.78 | MMP1 (0.50) | — | |
| SCHEMBL2170908 | 0.78 | — | — | |
| SCHEMBL1884481 | 0.78 | — | — | |
| SCHEMBL28778171 | 0.78 | MMP1 (0.54) | — | |
| Water SCHEMBL14563848 | 0.78 | MMP1 (0.50) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030176465-A1 | Cyclic amino acid derivatives | MERCK PATENT GMBH (DE) | 2003-09-18 | — | — | US | disclosed |
| US-20030162814-A1 | N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives | MERCK PATENT GMBH (DE) | 2003-08-28 | — | — | US | disclosed |
| EP-1303482-A2 | N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES | MERCK PATENT GmbH (DE) | 2003-04-23 | — | — | EP | disclosed |
| EP-1301506-A1 | CYCLIC AMINO ACID DERIVATIVES | MERCK PATENT GmbH (DE) | 2003-04-16 | — | — | EP | disclosed |
| WO-2002008177-A2 | N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2002-01-31 | — | — | WO | disclosed |
| WO-2002006269-A1 | CYCLIC AMINO ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2002-01-24 | — | — | WO | disclosed |