⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14541 | 0.97 | — | — | |
| SCHEMBL9471886 | 0.94 | — | — | |
| SCHEMBL27860555 | 0.94 | KDM4E (0.37) | — | |
| Thiourea SCHEMBL28073419 | 0.84 | TAS2R38 (0.44) | — | |
| Glutarate SCHEMBL10628098 | 0.78 | SLC22A6 (0.48) | — | |
| SCHEMBL28751531 | 0.78 | TRPA1 (0.36) | — | |
| Adipic Acid SCHEMBL10634518 | 0.78 | ADRA1A (0.50) | — | |
| SCHEMBL11214566 | 0.72 | MCL1 (0.30) | — | |
| SCHEMBL1818413 | 0.71 | — | — | |
| SCHEMBL29172345 | 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 |
|---|---|---|---|---|---|---|---|
| CN-115038334-A | Use of cyanamide or salts thereof for regulating plant growth | 澳泽化学特罗斯特贝格有限公司 | 2022-09-09 | — | — | CN | disclosed |