⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5643601 | 0.99 | CDK1 (0.31) | — | |
| SCHEMBL5644685 | 0.80 | XDH (0.31) | — | |
| SCHEMBL5642486 | 0.79 | CTH (0.35) | — | |
| SCHEMBL5641630 | 0.77 | CTH (0.38) | — | |
| SCHEMBL5643554 | 0.74 | CTH (0.36) | — | |
| SCHEMBL5642661 | 0.74 | DDAH1 (0.34) | — | |
| SCHEMBL5645515 | 0.72 | BMP1 (0.36) | — | |
| SCHEMBL5384783 | 0.72 | EPHX1 (0.32) | — | |
| SCHEMBL5643344 | 0.71 | — | — | |
| SCHEMBL119958 | 0.71 | EPHX1 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7250433-B2 | Tetrazole and oxadiazolone substituted β-amino acid derivatives | WARNER LAMBERT COMPANY LLC (US) | 2007-07-31 | — | — | US | disclosed |
| US-20050014804-A1 | Tetrazole and oxadiazolone substituted beta-amino acid derivatives | BARTA NANCY SUE (US) | 2005-01-20 | — | — | US | disclosed |