⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6826633 | 1.00 | — | — | |
| SCHEMBL1616882 | 0.75 | — | — | |
| SCHEMBL28643093 | 0.72 | — | — | |
| SCHEMBL28643095 | 0.72 | — | — | |
| SCHEMBL905351 | 0.72 | — | — | |
| SCHEMBL75982 | 0.72 | — | — | |
| SCHEMBL31379442 | 0.71 | — | — | |
| SCHEMBL29105553 | 0.69 | — | — | |
| SCHEMBL436544 | 0.69 | — | — | |
| SCHEMBL892030 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5830875-A | PARASITICIDES | MERCK & CO., INC. (US) | 1998-11-03 | — | — | US | disclosed |
| US-5208222-A | Anthelemetic | MERCK & CO., INC. (US) | 1993-05-04 | — | — | US | disclosed |
| EP-0506331-A1 | 4\"-and 4'-alkylthio-avermectin derivatives | MERCK & CO. INC. (US) | 1992-09-30 | — | — | EP | disclosed |
| EP-0428286-A2 | 24- and 25-substituted avermectin and milbemycin derivatives | MERCK & CO. INC. (US) | 1991-05-22 | — | — | EP | disclosed |