⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18360717 | 0.89 | MAPK1 (0.45) | — | |
| SCHEMBL18360673 | 0.87 | MAPK1 (0.42) | — | |
| SCHEMBL18360685 | 0.86 | MAPK1 (0.44) | — | |
| SCHEMBL18360648 | 0.85 | MAPK1 (0.45) | — | |
| SCHEMBL18360605 | 0.82 | MAPK1 (0.46) | — | |
| SCHEMBL18360587 | 0.82 | MAPK1 (0.46) | — | |
| SCHEMBL18360718 | 0.81 | MAPK1 (0.40) | — | |
| SCHEMBL10211783 | 0.81 | — | — | |
| SCHEMBL18360680 | 0.78 | MAPK1 (0.44) | — | |
| SCHEMBL18360603 | 0.78 | — | — |
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-2615916-B1 | FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS | MERCK SHARP & DOHME (US) | 2017-01-04 | — | — | EP | disclosed |