⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2297071 | 0.86 | GCK (0.35) | — | |
| SCHEMBL2896657 | 0.76 | CSF1R (0.35) | — | |
| SCHEMBL2899059 | 0.73 | GCK (0.46) | — | |
| SCHEMBL3498390 | 0.73 | GCK (0.49) | — | |
| SCHEMBL3499879 | 0.73 | CNR2 (0.33) | — | |
| SCHEMBL2897141 | 0.72 | P2RX3 (0.33) | — | |
| SCHEMBL2896684 | 0.72 | P2RX3 (0.33) | — | |
| SCHEMBL2899400 | 0.72 | TTK (0.37) | — | |
| SCHEMBL2900305 | 0.72 | P2RX3 (0.33) | — | |
| SCHEMBL2892371 | 0.69 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2266983-B1 | NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL (JP) | 2013-06-05 | — | — | EP | claimed |
| US-8349886-B2 | Nitrogenated 5-membered heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-01-08 | — | — | US | claimed |
| US-20110190335-A1 | NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-08-04 | — | — | US | claimed |
| EP-2266983-A1 | NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2010-12-29 | — | — | EP | claimed |
| EP-2266983-B1 | NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL (JP) | 2013-06-05 | — | — | EP | disclosed |
| US-8349886-B2 | Nitrogenated 5-membered heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-01-08 | — | — | US | disclosed |
| US-8349886-B2 | Nitrogenated 5-membered heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-01-08 | — | — | US | disclosed |
| US-8349886-B2 | Nitrogenated 5-membered heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-01-08 | — | — | US | disclosed |
| US-20110190335-A1 | NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-08-04 | — | — | US | disclosed |
| US-20110190335-A1 | NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-08-04 | — | — | US | disclosed |
| US-20110190335-A1 | NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-08-04 | — | — | US | disclosed |
| WO-2009128481-A1 | NITROGENATED 5-MEMBERED HETEROCYCLIC COMPOUND | 武田薬品工業株式会社 (JP) | 2009-10-22 | — | — | WO | disclosed |