⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29473470 | 0.81 | HPGD (0.47) | — | |
| SCHEMBL3280929 | 0.79 | — | — | |
| SCHEMBL4506833 | 0.77 | — | — | |
| SCHEMBL7438683 | 0.77 | — | — | |
| SCHEMBL568863 | 0.77 | — | — | |
| SCHEMBL4131287 | 0.77 | — | — | |
| SCHEMBL8847816 | 0.77 | — | — | |
| SCHEMBL17082813 | 0.77 | — | — | |
| SCHEMBL1384052 | 0.77 | TGM2 (0.57) | — | |
| SCHEMBL14606348 | 0.74 | HPGD (0.42) | — |
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-9029536-B2 | Fused heterocyclic compounds | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-05-12 | — | — | US | disclosed |
| US-20130172292-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-07-04 | — | — | US | disclosed |
| EP-2601192-A1 | FUSED HETEROCYCLIC COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2013-06-12 | — | — | EP | disclosed |
| US-8288380-B2 | Thiophenediamine derivative having urea structure | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2012-10-16 | — | — | US | disclosed |
| WO-2012018909-A1 | FUSED HETEROCYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-02-09 | — | — | WO | disclosed |