⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11137845 | 0.93 | — | — | |
| Guanidine SCHEMBL10908988 | 0.91 | ALDH1A1 (0.31) | — | |
| SCHEMBL3105925 | 0.74 | PRSS1 (0.35) | — | |
| SCHEMBL3090756 | 0.71 | TSHR (0.37) | — | |
| SCHEMBL3430053 | 0.70 | — | — | |
| SCHEMBL17234304 | 0.70 | PGK1 (0.44) | — | |
| Water SCHEMBL10792737 | 0.70 | ALOX15 (0.42) | — | |
| SCHEMBL10787872 | 0.70 | MEN1 (0.46) | — | |
| Water SCHEMBL10789859 | 0.69 | MEN1 (0.44) | — | |
| Water SCHEMBL10793059 | 0.69 | MEN1 (0.44) | — |
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-0546548-B1 | Guanidinyl alkyl-1,1-bis phosphonic acid derivatives, process for their preparation and their use | HOECHST AG (DE) | 1997-05-02 | — | — | EP | claimed |