⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4759844 | 0.93 | — | — | |
| SCHEMBL4787162 | 0.89 | PDE5A (0.31) | — | |
| SCHEMBL5334319 | 0.89 | — | — | |
| SCHEMBL4757588 | 0.87 | — | — | |
| SCHEMBL4281858 | 0.84 | SSTR5 (0.31) | — | |
| SCHEMBL4272809 | 0.84 | SSTR5 (0.31) | — | |
| SCHEMBL4709624 | 0.84 | ACACB (0.31) | — | |
| SCHEMBL4418928 | 0.84 | ROCK2 (0.32) | — | |
| SCHEMBL4759982 | 0.83 | — | — | |
| SCHEMBL3856567 | 0.83 | — | — |
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-1910375-A1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | Merck & Co., Inc. (US) | 2008-04-16 | — | — | EP | claimed |
| WO-2007011809-A1 | SPIROCHROMANONE DERIVATIVES AS ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS | MERCK & CO., INC. (US) | 2007-01-25 | — | — | WO | claimed |