⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12251749 | 0.71 | — | — | |
| SCHEMBL17658911 | 0.71 | TSHR (0.46) | — | |
| SCHEMBL19483136 | 0.71 | TSHR (0.46) | — | |
| SCHEMBL11586171 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL10063284 | 0.68 | — | — | |
| SCHEMBL6434347 | 0.67 | — | — | |
| Methyl Alcohol SCHEMBL27790667 | 0.66 | GLA (0.35) | — | |
| SCHEMBL5027041 | 0.66 | — | — | |
| SCHEMBL10063278 | 0.66 | — | — | |
| SCHEMBL11961384 | 0.65 | LMNA (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-2433495-A1 | O-nitro compounds, pharmaceutical compositions thereof and uses thereof | ALLIANT TECHSYSTEMS INC. (US) | 2012-03-28 | — | — | EP | disclosed |