⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL78087 | 0.80 | — | — | |
| SCHEMBL5597209 | 0.78 | KDM4E (0.48) | — | |
| SCHEMBL295249 | 0.78 | — | — | |
| SCHEMBL889022 | 0.78 | — | — | |
| Aceturic Acid SCHEMBL5876 | 0.75 | — | — | |
| SCHEMBL30978277 | 0.75 | — | — | |
| SCHEMBL21962412 | 0.75 | — | — | |
| Aceturic Acid SCHEMBL42918 | 0.75 | CTH (0.52) | — | |
| Acetic Acid SCHEMBL4243346 | 0.75 | KDM4E (0.46) | — | |
| SCHEMBL13410473 | 0.73 | KDM4E (0.43) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5169839-A | DERIVATIVES OF 3'- AND 3\"-O-DESMETHYL AVERMECTIN COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING MELMINTIC AND PARASITIC INFECTIONS | MERCK & CO., INC. (US) | 1992-12-08 | — | — | US | claimed |
| EP-0456509-A1 | Derivatives of 3' - and 3\"-0-desmethyl avermectin compounds | MERCK & CO. INC. (US) | 1991-11-13 | — | — | EP | claimed |
| US-5169839-A | DERIVATIVES OF 3'- AND 3\"-O-DESMETHYL AVERMECTIN COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING MELMINTIC AND PARASITIC INFECTIONS | MERCK & CO., INC. (US) | 1992-12-08 | — | — | US | disclosed |
| EP-0456509-A1 | Derivatives of 3' - and 3\"-0-desmethyl avermectin compounds | MERCK & CO. INC. (US) | 1991-11-13 | — | — | EP | disclosed |
| EP-0375395-A2 | Derivatives of 3'-and 3\"-0-desmethyl avermectin compounds | MERCK & CO. INC. (US) | 1990-06-27 | — | — | EP | disclosed |
| US-4556737-A | ANTIALLERGENS, TREATMENT OF ASTHMA AND RHINITIS | TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) | 1985-12-03 | — | — | US | disclosed |