⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25909126 | 0.73 | — | — | |
| SCHEMBL25840174 | 0.73 | — | — | |
| SCHEMBL25846538 | 0.73 | — | — | |
| SCHEMBL14252171 | 0.73 | — | — | |
| SCHEMBL21913789 | 0.73 | — | — | |
| Oxalic Acid SCHEMBL28769368 | 0.69 | TP53 (0.38) | — | |
| SCHEMBL760396 | 0.69 | TP53 (0.30) | — | |
| SCHEMBL8415754 | 0.67 | — | — | |
| SCHEMBL10309593 | 0.67 | — | — | |
| SCHEMBL10309616 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012090969-A1 | AMIDINE COMPOUNDS AND USE THEREOF FOR PLANT DISEASE CONTROL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-07-05 | — | — | WO | disclosed |