⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1042087 | 0.81 | SMC2 (0.34) | — | |
| SCHEMBL12957284 | 0.74 | IMPDH2 (0.35) | — | |
| SCHEMBL4421645 | 0.71 | AAK1 (0.33) | — | |
| SCHEMBL1040484 | 0.70 | MAP2K1 (0.43) | — | |
| SCHEMBL3861942 | 0.69 | MAP2K1 (0.41) | — | |
| SCHEMBL3865003 | 0.67 | SMC2 (0.36) | — | |
| SCHEMBL27650280 | 0.66 | MAP2K1 (0.38) | — | |
| SCHEMBL3861938 | 0.66 | MAP2K1 (0.39) | — | |
| SCHEMBL27670445 | 0.66 | MAP2K1 (0.42) | — | |
| SCHEMBL27619779 | 0.66 | MAP2K1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2130536-A1 | N3 alkylated benzimidazole derivatives as mek inhibitors | Array Biopharma, Inc. (US) | 2009-12-09 | — | — | EP | disclosed |