⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2254844 | 0.77 | — | — | |
| SCHEMBL7785079 | 0.75 | — | — | |
| SCHEMBL7785077 | 0.75 | — | — | |
| SCHEMBL732056 | 0.75 | ALDH1A1 (0.37) | — | |
| SCHEMBL322669 | 0.74 | — | — | |
| SCHEMBL24917026 | 0.73 | — | — | |
| SCHEMBL14963619 | 0.73 | ALDH1A1 (0.46) | — | |
| SCHEMBL2466001 | 0.73 | TDP1 (0.42) | — | |
| Ethylene SCHEMBL6674101 | 0.73 | ALDH1A1 (0.50) | — | |
| Ethylene SCHEMBL6951144 | 0.73 | ALDH1A1 (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118339274-A | Brandy replica | 艾娃食品实验室股份有限公司 | 2024-07-12 | — | — | CN | disclosed |
| WO-2023055801-A1 | BRANDY REPLICAS | AVA FOOD LABS, INC. (US) | 2023-04-06 | — | — | WO | disclosed |
| US-20210292347-A1 | DIHETEROCYCLIC TRIAZINONE NUCLEOSIDE ANALOGS AND THEIR USE FOR MEDICATION | XU LIFENG (US) | 2021-09-23 | — | — | US | disclosed |
| EP-0167385-B1 | ANTIVIRAL COMPOUNDS, TREATMENT AND FORMULATIONS | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-03-18 | — | — | EP | disclosed |
| EP-0167385-A2 | Antiviral compounds, treatment and formulations | THE WELLCOME FOUNDATION LIMITED (GB) | 1986-01-08 | — | — | EP | disclosed |