⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2028350 | 1.00 | — | — | |
| SCHEMBL2033887 | 0.81 | PTGS1 (0.34) | — | |
| SCHEMBL20253619 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL847157 | 0.74 | NR1I2 (0.31) | — | |
| SCHEMBL28451660 | 0.72 | ATM (0.47) | — | |
| SCHEMBL38660223 | 0.70 | — | — | |
| SCHEMBL11581957 | 0.69 | — | — | |
| SCHEMBL21076391 | 0.69 | CTH (0.33) | — | |
| SCHEMBL140617 | 0.69 | — | — | |
| SCHEMBL782418 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7968572-B2 | Nitrogen-containing heterocyclic compound and pharmaceutical application thereof | ONO PHARMACEUTICALS CO., LTD. (JP) | 2011-06-28 | — | — | US | disclosed |
| US-20100063104-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF | ONO PHARMACEUTICAL CO., LTD., (JP) | 2010-03-11 | — | — | US | disclosed |
| EP-1932840-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-06-18 | — | — | EP | disclosed |