⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8433285 | 0.94 | — | — | |
| SCHEMBL26253 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL11086551 | 0.89 | — | — | |
| Bromide SCHEMBL20920200 | 0.89 | LMNA (0.50) | — | |
| SCHEMBL4294610 | 0.89 | — | — | |
| SCHEMBL10436508 | 0.89 | — | — | |
| Hydrogen Sulfide SCHEMBL4798139 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL1437503 | 0.89 | — | — | |
| Hydrogen Sulfide SCHEMBL10802332 | 0.89 | — | — | |
| SCHEMBL28157327 | 0.89 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106046246-B | Heavy metal detection sensing material and preparation method and application thereof | 陶伟珍 | 2018-05-25 | — | — | CN | disclosed |
| CN-107501469-A | Heavy metal analysis sensing material | 苏州益可泰电子材料有限公司 | 2017-12-22 | — | — | CN | disclosed |
| CN-107474183-A | The application of heavy metal analysis sensing material | 苏州益可泰电子材料有限公司 | 2017-12-15 | — | — | CN | disclosed |