⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3856615 | 0.90 | — | — | |
| SCHEMBL1535057 | 0.90 | ACACB (0.34) | — | |
| SCHEMBL2360849 | 0.90 | ACACB (0.34) | — | |
| SCHEMBL3856569 | 0.90 | ACACB (0.34) | — | |
| SCHEMBL4759175 | 0.86 | ACACB (0.33) | — | |
| SCHEMBL4266728 | 0.84 | OPRD1 (0.32) | — | |
| SCHEMBL4267712 | 0.84 | OPRD1 (0.32) | — | |
| SCHEMBL4266808 | 0.83 | OPRD1 (0.32) | — | |
| SCHEMBL3858724 | 0.83 | ACACB (0.34) | — | |
| 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008088689-A1 | SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | claimed |