⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20120018 | 0.76 | — | — | |
| SCHEMBL18509494 | 0.71 | — | — | |
| SCHEMBL18509707 | 0.70 | — | — | |
| SCHEMBL20120089 | 0.65 | — | — | |
| SCHEMBL18754521 | 0.65 | — | — | |
| SCHEMBL20120106 | 0.64 | ALDH1A1 (0.32) | — | |
| SCHEMBL21396035 | 0.63 | — | — | |
| SCHEMBL14471324 | 0.61 | — | — | |
| SCHEMBL20120098 | 0.61 | — | — | |
| SCHEMBL20119983 | 0.58 | — | — |
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 |