⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18854161 | 0.73 | — | — | |
| SCHEMBL20120030 | 0.71 | — | — | |
| SCHEMBL8440530 | 0.65 | — | — | |
| SCHEMBL15587752 | 0.64 | — | — | |
| SCHEMBL11593052 | 0.62 | — | — | |
| SCHEMBL11593053 | 0.62 | — | — | |
| SCHEMBL5422027 | 0.60 | — | — | |
| Butadiene SCHEMBL1270039 | 0.58 | TSHR (0.35) | — | |
| SCHEMBL22239686 | 0.57 | — | — | |
| SCHEMBL7628967 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018081456-A1 | HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) | 2018-05-03 | — | — | WO | disclosed |