⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12914551 | 0.83 | TP53 (0.30) | — | |
| SCHEMBL14560383 | 0.80 | CA2 (0.35) | — | |
| SCHEMBL2065835 | 0.80 | — | — | |
| SCHEMBL9632650 | 0.78 | — | — | |
| SCHEMBL255742 | 0.78 | — | — | |
| SCHEMBL3716800 | 0.78 | — | — | |
| SCHEMBL14560315 | 0.78 | AKR1B1 (0.44) | — | |
| SCHEMBL500656 | 0.75 | GABRA1 (0.37) | — | |
| SCHEMBL6816923 | 0.75 | PRKCI (0.33) | — | |
| SCHEMBL14560373 | 0.75 | LTB4R (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-109206417-B | Opioid receptor agonists and uses thereof | 四川海思科制药有限公司 | 2023-01-03 | — | — | CN | disclosed |
| CN-115124520-A | Opioid receptor agonists and uses thereof | 四川海思科制药有限公司 | 2022-09-30 | — | — | CN | disclosed |
| CN-109206417-A | Opioid receptor agonists and uses thereof | 四川海思科制药有限公司 | 2019-01-15 | — | — | CN | disclosed |
| US-20110086395-A1 | NOVEL MICROORGANISM AND ITS USE IN LIGNOCELLULOSE DETOXIFICATION | SHELL OIL COMPANY | 2011-04-14 | — | — | US | disclosed |
| EP-2308959-A1 | Novel microorganism and its use in lignocellulose detoxifixcation | Shell Internationale Research Maatschappij B.V. (NL) | 2011-04-13 | — | — | EP | disclosed |
| WO-2011026906-A2 | NOVEL MICROORGANISM AND ITS USE IN LIGNOCELLULOSE DETOXIFICATION | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2011-03-10 | — | — | WO | disclosed |