⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2899305 | 0.92 | GCK (0.31) | — | |
| SCHEMBL2896829 | 0.91 | MTOR (0.30) | — | |
| SCHEMBL2899325 | 0.88 | SSTR3 (0.32) | — | |
| SCHEMBL2896807 | 0.85 | GCK (0.40) | — | |
| SCHEMBL2899054 | 0.84 | KCNH2 (0.32) | — | |
| SCHEMBL2900317 | 0.79 | GCK (0.44) | — | |
| SCHEMBL2897141 | 0.78 | P2RX3 (0.33) | — | |
| SCHEMBL2902502 | 0.77 | GCK (0.38) | — | |
| SCHEMBL2894068 | 0.76 | GCK (0.38) | — | |
| SCHEMBL2892371 | 0.76 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8318746-B2 | Nitrogen-containing five-membered heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-11-27 | — | — | US | disclosed |
| US-8318746-B2 | Nitrogen-containing five-membered heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-11-27 | — | — | US | disclosed |
| US-8318746-B2 | Nitrogen-containing five-membered heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-11-27 | — | — | US | disclosed |
| US-20100130446-A1 | NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) | 2010-05-27 | — | — | US | disclosed |
| US-20100130446-A1 | NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) | 2010-05-27 | — | — | US | disclosed |
| US-20100130446-A1 | NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAS COMPANY LIMITED (JP) | 2010-05-27 | — | — | US | disclosed |
| EP-2149550-A1 | NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2010-02-03 | — | — | EP | disclosed |
| EP-2149550-A1 | NITROGEN-CONTAINING FIVE-MEMBERED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2010-02-03 | — | — | EP | disclosed |