⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1346715 | 0.76 | — | — | |
| SCHEMBL2562280 | 0.71 | — | — | |
| SCHEMBL13060589 | 0.67 | — | — | |
| SCHEMBL20092317 | 0.67 | — | — | |
| SCHEMBL3181317 | 0.67 | — | — | |
| SCHEMBL623621 | 0.67 | — | — | |
| SCHEMBL11267390 | 0.67 | — | — | |
| SCHEMBL527910 | 0.67 | — | — | |
| SCHEMBL943246 | 0.65 | — | — | |
| SCHEMBL28301872 | 0.65 | — | — |
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-6586452-B1 | Plant extracts used as miticides, parasiticides, insecticides and/or anthelmintics | MERCK & CO., INC. | 2003-07-01 | — | — | US | disclosed |
| US-20020045653-A1 | C4 side-chain modified nodulisporic acid analogs | SHIH THOMAS (US) | 2002-04-18 | — | — | US | disclosed |