⚠ 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL11505805 | 0.90 | — | — | |
| SCHEMBL181641 | 0.89 | — | — | |
| Acetic Acid SCHEMBL926064 | 0.87 | — | — | |
| SCHEMBL28868195 | 0.85 | — | — | |
| Water SCHEMBL1971738 | 0.85 | — | — | |
| Methane SCHEMBL28838006 | 0.85 | — | — | |
| SCHEMBL29183240 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL27469418 | 0.85 | — | — | |
| Bromide SCHEMBL11505134 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL439854 | 0.85 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113773233-B | Methyl guanidinyl urea derivative and preparation method and application thereof | 中国农业大学 | 2022-05-06 | — | — | CN | disclosed |
| CN-113773233-A | Methyl guanidinyl urea derivative and preparation method and application thereof | 中国农业大学 | 2021-12-10 | — | — | CN | disclosed |