⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21156118 | 0.79 | — | — | |
| SCHEMBL31287339 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL11530183 | 0.67 | GAA (0.34) | — | |
| SCHEMBL21156142 | 0.63 | ERN1 (0.40) | — | |
| SCHEMBL25437652 | 0.62 | — | — | |
| SCHEMBL20843915 | 0.62 | — | — | |
| SCHEMBL20843904 | 0.62 | — | — | |
| SCHEMBL21727617 | 0.60 | — | — | |
| SCHEMBL20049234 | 0.60 | — | — | |
| SCHEMBL25103871 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160251352-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2016-09-01 | — | — | US | disclosed |
| US-9371320-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-21 | — | — | US | disclosed |
| US-20150141406-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-05-21 | — | — | US | disclosed |