⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2213386 | 0.81 | — | — | |
| SCHEMBL1857157 | 0.81 | — | — | |
| SCHEMBL1822218 | 0.81 | — | — | |
| SCHEMBL2994680 | 0.79 | NPC1 (0.47) | — | |
| SCHEMBL5174804 | 0.78 | NPC1 (0.42) | — | |
| SCHEMBL7215379 | 0.78 | NPC1 (0.42) | — | |
| Benzene SCHEMBL5151418 | 0.78 | NPC1 (0.46) | — | |
| SCHEMBL11701226 | 0.78 | NPC1 (0.42) | — | |
| SCHEMBL8904856 | 0.77 | — | — | |
| SCHEMBL1324 | 0.77 | NPC1 (0.62) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230056785-A1 | GAS-STORING MATERIAL INCLUDING METAL/ORGANIC FRAMEWORK BONDED BY HYDROXAMIC ACID | RIKKYO EDUCATIONAL CORPORATION (JP) | 2023-02-23 | — | — | US | disclosed |
| EP-1439220-B1 | Immobilized biocatalysts usable for the manufacture of natural nucleosides and modified analogues through enzymatic transglycosylation reactions | ADORKEM TECHNOLOGY SPA (IT) | 2007-08-22 | — | — | EP | disclosed |
| US-20040142438-A1 | Novel immobilized biocatalysts usable for the production of natural nucleosides and modified analogues by enzymatic transglycosylation reactions | KERYOS SPA (IT) | 2004-07-22 | — | — | US | disclosed |
| EP-1439220-A1 | Immobilized biocatalysts usable for the manufacture of natural nucleosides and modified analogues through enzymatic transglycosylation reactions | Keryos Spa (IT) | 2004-07-21 | — | — | EP | disclosed |
| WO-1991011999-A1 | ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT | MERCK & CO., INC. (US) | 1991-08-22 | — | — | WO | disclosed |