⚠ 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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL186424 | 0.82 | — | — | |
| SCHEMBL6105256 | 0.82 | — | — | |
| SCHEMBL231573 | 0.82 | — | — | |
| Bromide SCHEMBL4157567 | 0.78 | — | — | |
| SCHEMBL186425 | 0.77 | — | — | |
| SCHEMBL1866498 | 0.77 | — | — | |
| SCHEMBL6105258 | 0.77 | — | — | |
| Iodide SCHEMBL9420290 | 0.75 | — | — | |
| SCHEMBL11093032 | 0.73 | — | — | |
| SCHEMBL8736018 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8470816-B2 | Nitrogen-containing heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-06-25 | — | — | US | disclosed |
| US-20090156572-A1 | Nitrogen-containing heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-06-18 | — | — | US | disclosed |