⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL181641 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL439854 | 0.92 | — | — | |
| SCHEMBL29183240 | 0.92 | — | — | |
| Guanidine SCHEMBL4428313 | 0.92 | — | — | |
| SCHEMBL28868195 | 0.92 | — | — | |
| Bromide SCHEMBL11505134 | 0.92 | — | — | |
| Water SCHEMBL1971738 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL27469418 | 0.92 | — | — | |
| Ethane SCHEMBL27569889 | 0.92 | — | — | |
| Iodide SCHEMBL9536874 | 0.92 | — | — |
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-115011335-A | Carbon quantum dot based on guanidino compound and synthesis method and application thereof | 苏州伊瑞斯科技有限公司 | 2022-09-06 | — | — | CN | disclosed |