⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9842819 | 0.78 | — | — | |
| SCHEMBL9372836 | 0.78 | — | — | |
| SCHEMBL7675790 | 0.70 | — | — | |
| SCHEMBL5113807 | 0.70 | — | — | |
| SCHEMBL9559788 | 0.70 | — | — | |
| SCHEMBL10871027 | 0.69 | — | — | |
| SCHEMBL7555582 | 0.69 | TSHR (0.50) | — | |
| SCHEMBL8745985 | 0.69 | — | — | |
| SCHEMBL9146236 | 0.69 | — | — | |
| SCHEMBL11521060 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9708292-B2 | Cyanopyrimidine derivative | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2017-07-18 | — | — | US | disclosed |
| US-20120022077-A1 | NOVEL CYANOPYRIMIDINE DERIVATIVE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-01-26 | — | — | US | disclosed |
| EP-0450097-A1 | BENZOHETEROCYCLIC COMPOUNDS. | OTSUKA PHARMA CO LTD (JP) | 1991-10-09 | — | — | EP | disclosed |
| EP-0382185-A2 | Carbostyril derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1990-08-16 | — | — | EP | disclosed |