⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6046915 | 0.83 | ALDH1A1 (0.37) | — | |
| Bromide SCHEMBL7034152 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL3630263 | 0.75 | — | — | |
| SCHEMBL3628353 | 0.74 | — | — | |
| Bromide SCHEMBL3053670 | 0.73 | — | — | |
| Fluoride Ion SCHEMBL7027242 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL4465859 | 0.72 | — | — | |
| SCHEMBL14862287 | 0.72 | CA12 (0.40) | — | |
| Hydrochloric Acid SCHEMBL4608000 | 0.70 | CA12 (0.39) | — | |
| Fluoride Ion SCHEMBL7030262 | 0.70 | CA12 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7709158-B1 | Guanidine derivatives as cations for ambient temperature molten sales in electrochemical power sources | ELECTROCHEM SOLUTIONS, INC. (US) | 2010-05-04 | — | — | US | disclosed |