⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10967262 | 0.76 | NPC1 (0.41) | — | |
| Hydrochloric Acid SCHEMBL11478945 | 0.72 | NPC1 (0.38) | — | |
| SCHEMBL10864284 | 0.71 | MAPK1 (0.40) | — | |
| SCHEMBL243566 | 0.67 | — | — | |
| SCHEMBL12854068 | 0.67 | — | — | |
| SCHEMBL7352430 | 0.66 | — | — | |
| SCHEMBL12219703 | 0.65 | ALDH1A1 (0.37) | — | |
| SCHEMBL13003564 | 0.65 | SLC6A3 (0.37) | — | |
| SCHEMBL8004089 | 0.65 | — | — | |
| SCHEMBL5539488 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20190292194-A1 | INHIBITORS OF ERK AND METHODS OF USE | KURA ONCOLOGY, INC. | 2019-09-26 | — | — | US | disclosed |