⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5644560 | 0.86 | — | — | |
| SCHEMBL5642096 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL5645309 | 0.82 | TAAR1 (0.36) | — | |
| SCHEMBL5642723 | 0.82 | — | — | |
| SCHEMBL5641579 | 0.79 | TAAR1 (0.31) | — | |
| SCHEMBL5643706 | 0.76 | — | — | |
| SCHEMBL5644676 | 0.76 | — | — | |
| SCHEMBL5643344 | 0.75 | — | — | |
| SCHEMBL5643967 | 0.74 | — | — | |
| SCHEMBL5642387 | 0.74 | TAAR1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1603890-A1 | TETRAZOLE AND OXADIAZOLONE SUBSTITUTED &bgr;-AMINO ACID DERIVATIVES | Warner-Lambert Company LLC (US) | 2005-12-14 | — | — | EP | disclosed |
| WO-2004078734-A1 | TETRAZOLE AND OXADIAZOLONE SUBSTITUTED β-AMINO ACID DERIVATIVES | WARNER-LAMBERT COMPANY LLC (US) | 2004-09-16 | — | — | WO | disclosed |