⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24051562 | 0.93 | SPHK1 (0.31) | — | |
| SCHEMBL12746263 | 0.93 | SPHK1 (0.31) | — | |
| SCHEMBL13218872 | 0.87 | SPHK1 (0.30) | — | |
| SCHEMBL13218874 | 0.87 | SPHK1 (0.30) | — | |
| SCHEMBL15747237 | 0.81 | — | — | |
| SCHEMBL17035801 | 0.81 | FGF1 (0.35) | — | |
| SCHEMBL11997774 | 0.78 | FGF1 (0.36) | — | |
| SCHEMBL9908979 | 0.78 | SPHK1 (0.30) | — | |
| SCHEMBL25505092 | 0.78 | FGF1 (0.36) | — | |
| SCHEMBL13159271 | 0.78 | SPHK1 (0.30) | — |
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-20160115542-A1 | BIOMARKER OF Nrf2 ACTIVATION | MOCHIDA PHARMACEUTICAL CO., LTD. (JP) | 2016-04-28 | — | — | US | disclosed |