⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5665691 | 0.84 | HTR2C (0.39) | — | |
| SCHEMBL5668971 | 0.81 | — | — | |
| SCHEMBL5669073 | 0.80 | — | — | |
| SCHEMBL6740398 | 0.77 | MARS1 (0.45) | — | |
| SCHEMBL5669984 | 0.77 | — | — | |
| SCHEMBL5667923 | 0.76 | — | — | |
| SCHEMBL5668313 | 0.75 | CTSV (0.52) | — | |
| SCHEMBL5668528 | 0.75 | MARS1 (0.64) | — | |
| SCHEMBL5668955 | 0.75 | — | — | |
| SCHEMBL5670783 | 0.75 | MARS1 (0.42) | — |
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-20040039017-A1 | Urotensin-II receptor antagonists | SMITHKLINE BEECHAM CORPORATION | 2004-02-26 | — | — | US | claimed |
| US-20040039017-A1 | Urotensin-II receptor antagonists | SMITHKLINE BEECHAM CORPORATION | 2004-02-26 | — | — | US | disclosed |