⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8301431 | 0.88 | — | — | |
| SCHEMBL20549023 | 0.84 | BID (0.41) | — | |
| SCHEMBL6647064 | 0.83 | — | — | |
| SCHEMBL28438124 | 0.82 | — | — | |
| SCHEMBL8932159 | 0.80 | TDP1 (0.30) | — | |
| SCHEMBL28183864 | 0.78 | — | — | |
| SCHEMBL6208851 | 0.78 | GABRA1 (0.36) | — | |
| SCHEMBL3232243 | 0.75 | GABRA1 (0.45) | — | |
| SCHEMBL7807775 | 0.75 | HDAC3 (0.39) | — | |
| SCHEMBL3059394 | 0.73 | GABRA1 (0.41) | — |
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-5459142-A | Autoimmune disease, atherosclerosis, antiischemic agents and nephritis | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-10-17 | — | — | US | disclosed |
| EP-0511879-B1 | Pyrazine derivatives | OTSUKA PHARMA CO LTD (JP) | 1995-03-22 | — | — | EP | disclosed |
| EP-0511879-A1 | Pyrazine derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1992-11-04 | — | — | EP | disclosed |