⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1123161 | 0.85 | ALDH1A1 (0.36) | — | |
| SCHEMBL17113812 | 0.78 | LMNA (0.42) | — | |
| SCHEMBL1170855 | 0.78 | — | — | |
| SCHEMBL27776786 | 0.78 | — | — | |
| SCHEMBL27580817 | 0.76 | — | — | |
| SCHEMBL27855634 | 0.76 | ALDH1A1 (0.48) | — | |
| SCHEMBL6382911 | 0.76 | — | — | |
| SCHEMBL1170387 | 0.76 | CA1 (0.45) | — | |
| SCHEMBL1117394 | 0.74 | ALDH1A1 (0.48) | — | |
| SCHEMBL1117308 | 0.74 | ALDH1A1 (0.48) | — |
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-102802411-B | Brominated nitroalkanol compositions and their use as biocides | DOW GLOBAL TECHNOLOGIES INC | 2015-02-04 | — | — | CN | disclosed |