⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4783523 | 0.93 | — | — | |
| SCHEMBL3856569 | 0.93 | ACACB (0.34) | — | |
| SCHEMBL1535057 | 0.92 | ACACB (0.34) | — | |
| SCHEMBL2360849 | 0.92 | ACACB (0.34) | — | |
| SCHEMBL1165288 | 0.88 | ACACB (0.40) | — | |
| SCHEMBL2363125 | 0.88 | ACACB (0.40) | — | |
| SCHEMBL3856615 | 0.84 | — | — | |
| SCHEMBL3858724 | 0.84 | ACACB (0.34) | — | |
| SCHEMBL4787034 | 0.84 | ACACB (0.39) | — | |
| SCHEMBL4758667 | 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-2111406-A1 | SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS | Merck & Co., Inc. (US) | 2009-10-28 | — | — | EP | claimed |
| WO-2008088688-A1 | SUBSTITUTED SPIROCHROMANONE DERIVATIVES AS ACC INHIBITORS | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | claimed |