⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2493319 | 0.67 | SMN1; SMN2 (0.33) | — | |
| Hydrochloric Acid SCHEMBL7688487 | 0.66 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL18901145 | 0.60 | — | — | |
| SCHEMBL887146 | 0.54 | — | — | |
| SCHEMBL3620540 | 0.52 | SMN1; SMN2 (0.46) | — | |
| SCHEMBL1928918 | 0.52 | ALDH1A1 (0.35) | — | |
| SCHEMBL21523570 | 0.52 | — | — | |
| SCHEMBL8303206 | 0.50 | ALDH1A1 (0.33) | — | |
| SCHEMBL15100 | 0.50 | ALDH1A1 (0.33) | — | |
| SCHEMBL16237066 | 0.50 | ALDH1A1 (0.33) | — |
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-2013240-B1 | PROCESS FOR THE PREPARATION OF CROSSLINKED NITROXIDE POLYMERS | PIOTREK CO LTD (JP) | 2017-05-31 | — | — | EP | disclosed |