⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3099588 | 0.86 | CA12 (0.35) | — | |
| SCHEMBL3098582 | 0.83 | ESR1 (0.30) | — | |
| SCHEMBL3111596 | 0.77 | POLH (0.37) | — | |
| SCHEMBL3104789 | 0.74 | KCNH2 (0.37) | — | |
| SCHEMBL3100344 | 0.73 | ERN1 (0.34) | — | |
| SCHEMBL3106607 | 0.71 | NPC1 (0.42) | — | |
| SCHEMBL3104666 | 0.70 | CA12 (0.34) | — | |
| SCHEMBL3099222 | 0.67 | GNRHR (0.37) | — | |
| SCHEMBL3106697 | 0.66 | KDM4E (0.40) | — | |
| SCHEMBL3102377 | 0.66 | KDM4E (0.36) | — |
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 |