⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22421176 | 0.72 | — | — | |
| SCHEMBL22054774 | 0.72 | — | — | |
| SCHEMBL7878899 | 0.70 | — | — | |
| SCHEMBL18902734 | 0.69 | — | — | |
| SCHEMBL14292257 | 0.68 | — | — | |
| SCHEMBL14639618 | 0.68 | — | — | |
| SCHEMBL2031050 | 0.68 | — | — | |
| SCHEMBL21393469 | 0.68 | — | — | |
| SCHEMBL29338758 | 0.67 | — | — | |
| SCHEMBL24376340 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010071837-A1 | PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-06-24 | — | — | WO | disclosed |