⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL217517 | 0.87 | MEN1 (0.41) | — | |
| SCHEMBL16512035 | 0.87 | — | — | |
| SCHEMBL4585035 | 0.84 | MEN1 (0.39) | — | |
| SCHEMBL13977372 | 0.84 | — | — | |
| Ethane SCHEMBL6012215 | 0.79 | MEN1 (0.35) | — | |
| SCHEMBL525531 | 0.77 | — | — | |
| Propane SCHEMBL10740306 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL17058732 | 0.75 | — | — | |
| SCHEMBL16644310 | 0.75 | — | — | |
| SCHEMBL16644299 | 0.74 | — | — |
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-20150105239-A1 | CROWN ETHER CONTAINING PEM ELECTRODE | GM GLOBAL TECH OPERATIONS INC (US) | 2015-04-16 | — | — | US | disclosed |