⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24686031 | 0.71 | — | — | |
| SCHEMBL19373778 | 0.71 | — | — | |
| SCHEMBL24574570 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL17873716 | 0.70 | POLB (0.38) | — | |
| SCHEMBL21149345 | 0.68 | ALDH1A1 (0.40) | — | |
| SCHEMBL27897557 | 0.67 | — | — | |
| SCHEMBL24768136 | 0.67 | L3MBTL1 (0.32) | — | |
| SCHEMBL15412195 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL25860019 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL26051418 | 0.67 | ALDH1A1 (0.32) | — |
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-2016095088-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |