⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6971777 | 0.88 | HTR7 (0.30) | — | |
| SCHEMBL9131916 | 0.82 | ACHE (0.35) | — | |
| SCHEMBL9277152 | 0.81 | — | — | |
| SCHEMBL7739836 | 0.81 | ACHE (0.42) | — | |
| SCHEMBL11401504 | 0.80 | — | — | |
| SCHEMBL4354473 | 0.79 | — | — | |
| SCHEMBL2361618 | 0.79 | — | — | |
| SCHEMBL1998499 | 0.79 | ACHE (0.44) | — | |
| SCHEMBL2053624 | 0.78 | — | — | |
| SCHEMBL7279328 | 0.77 | HDAC3 (0.39) | — |
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-1904449-A2 | INHIBITORS OF CHECKPOINT KINASES | Merck & Co., Inc. (US) | 2008-04-02 | — | — | EP | disclosed |
| WO-2007008502-A2 | INHIBITORS OF CHECKPOINT KINASES | MERCK & CO., INC. (US) | 2007-01-18 | — | — | WO | disclosed |