⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14625154 | 0.78 | — | — | |
| SCHEMBL23375930 | 0.78 | — | — | |
| SCHEMBL5031022 | 0.78 | — | — | |
| SCHEMBL42919 | 0.77 | — | — | |
| SCHEMBL14624669 | 0.73 | — | — | |
| SCHEMBL7712024 | 0.73 | — | — | |
| SCHEMBL1435514 | 0.72 | — | — | |
| SCHEMBL23825719 | 0.72 | — | — | |
| SCHEMBL11319453 | 0.72 | — | — | |
| SCHEMBL4010095 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5281625-A | Benzyl substituted guanidine derivatives, salts, and metal complexes | BASF AKTIENGESELLSCHAFT (DE) | 1994-01-25 | — | — | US | disclosed |
| US-5126374-A | For plants, seeds, soils, effective at low concentrations | BASF AKTIENGESELLSCHAFT (DE) | 1992-06-30 | — | — | US | disclosed |
| EP-0406699-A2 | Fungicidal guanidines | BASF Aktiengesellschaft (DE) | 1991-01-09 | — | — | EP | disclosed |