⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6760286 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL9809649 | 0.73 | — | — | |
| SCHEMBL2353316 | 0.73 | — | — | |
| SCHEMBL28399014 | 0.73 | — | — | |
| SCHEMBL3715370 | 0.73 | — | — | |
| SCHEMBL11058800 | 0.71 | — | — | |
| SCHEMBL2407439 | 0.71 | — | — | |
| SCHEMBL5417871 | 0.71 | — | — | |
| SCHEMBL11805955 | 0.71 | — | — | |
| SCHEMBL585068 | 0.71 | — | — |
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-0279643-A2 | Cyanoguanidine derivatives, the preparation thereof and their use for the synthesis of Cimetidine | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1988-08-24 | — | — | EP | disclosed |