⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL3106880 | 0.93 | CYP1A2 (0.33) | — | |
| Ether SCHEMBL3101249 | 0.80 | — | — | |
| SCHEMBL176950 | 0.79 | — | — | |
| SCHEMBL6064 | 0.73 | — | — | |
| Ether SCHEMBL17309997 | 0.71 | CYP2C9 (0.32) | — | |
| SCHEMBL1600341 | 0.70 | — | — | |
| SCHEMBL2646596 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL11144949 | 0.70 | ALDH1A1 (0.30) | — | |
| Water SCHEMBL2062906 | 0.70 | — | — | |
| SCHEMBL11148671 | 0.70 | ALDH1A1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2210876-B1 | HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST | TAKEDA PHARMACEUTICAL (JP) | 2015-05-20 | — | — | EP | disclosed |
| US-8309580-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-11-13 | — | — | US | disclosed |
| US-20100256156-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-10-07 | — | — | US | disclosed |
| EP-2210876-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2010-07-28 | — | — | EP | disclosed |