⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8060304 | 1.00 | — | — | |
| SCHEMBL7074549 | 0.85 | — | — | |
| SCHEMBL7070900 | 0.85 | — | — | |
| SCHEMBL7072631 | 0.85 | — | — | |
| SCHEMBL7070308 | 0.85 | — | — | |
| SCHEMBL8060327 | 0.85 | — | — | |
| SCHEMBL8049931 | 0.85 | — | — | |
| SCHEMBL8066558 | 0.79 | CHEK1 (0.35) | — | |
| SCHEMBL8062440 | 0.79 | CHEK1 (0.35) | — | |
| SCHEMBL8060369 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1001942-A1 | POLYHYDROXYBUTYLPYRAZINES, THEIR PREPARATION AND MEDICINES CONTAINING THEM | Aventis Pharma S.A. (FR) | 2000-05-24 | — | — | EP | claimed |
| WO-1999003841-A1 | POLYHYDROXYBUTYLPYRAZINES, THEIR PREPARATION AND MEDICINES CONTAINING THEM | RHONE-POULENC RORER S.A. (FR) | 1999-01-28 | — | — | WO | claimed |