⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5098580 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL6039806 | 0.84 | EPHX1 (0.32) | — | |
| SCHEMBL2909632 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL104261 | 0.73 | — | — | |
| SCHEMBL2920206 | 0.72 | ALDH1A1 (0.30) | — | |
| SCHEMBL2911229 | 0.72 | SLC6A1 (0.32) | — | |
| SCHEMBL2917175 | 0.71 | MAP4K4 (0.31) | — | |
| SCHEMBL8393335 | 0.70 | — | — | |
| SCHEMBL3654074 | 0.70 | KMT2A (0.57) | — | |
| SCHEMBL5109887 | 0.69 | LMNA (0.35) | — |
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-2006038001-A1 | AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS | CELLTECH R & D LIMITED (GB) | 2006-04-13 | — | — | WO | disclosed |