⚠ 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 | |
|---|---|---|---|---|
| Hydroxyl Radical SCHEMBL5311315 | 1.00 | — | — | |
| SCHEMBL13250428 | 1.00 | — | — | |
| SCHEMBL830089 | 1.00 | — | — | |
| SCHEMBL21628099 | 0.93 | TRPA1 (0.59) | — | |
| SCHEMBL1043377 | 0.92 | — | — | |
| SCHEMBL23037444 | 0.90 | TRPA1 (0.61) | — | |
| SCHEMBL7607320 | 0.90 | TRPA1 (0.61) | — | |
| SCHEMBL3186133 | 0.90 | TRPA1 (0.61) | — | |
| SCHEMBL4425883 | 0.90 | TRPA1 (0.61) | — | |
| SCHEMBL5180317 | 0.90 | TRPA1 (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103314101-B | The bio-fuel of the recombinant microorganism fermenting by protein biomass and chemical production | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2016-05-18 | — | — | CN | disclosed |