⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL724115 | 0.96 | — | — | |
| Water SCHEMBL27700128 | 0.92 | — | — | |
| Ethylenediamine SCHEMBL28121250 | 0.81 | — | — | |
| SCHEMBL811704 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL28300632 | 0.74 | — | — | |
| Water SCHEMBL28122765 | 0.74 | — | — | |
| Ammonia Solution, Strong SCHEMBL11220694 | 0.72 | — | — | |
| SCHEMBL1574126 | 0.72 | — | — | |
| SCHEMBL1576718 | 0.72 | — | — | |
| Ethylene SCHEMBL28433324 | 0.72 | — | — |
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-109504363-B | Preparation method and application of near-infrared two-region imaging contrast agent | 南京邮电大学 | 2021-09-03 | — | — | CN | disclosed |