⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL10670113 | 0.91 | — | — | |
| SCHEMBL219644 | 0.91 | — | — | |
| SCHEMBL28850213 | 0.86 | — | — | |
| SCHEMBL9468143 | 0.86 | — | — | |
| SCHEMBL28278458 | 0.86 | — | — | |
| SCHEMBL25337267 | 0.86 | — | — | |
| SCHEMBL14976359 | 0.86 | — | — | |
| SCHEMBL9581092 | 0.86 | — | — | |
| SCHEMBL7979315 | 0.86 | — | — | |
| SCHEMBL19915169 | 0.86 | — | — |
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-112798735-A | Gas concentration detector, hydrogen refining device and hydrogen-water graphene battery system | 江苏莘翔机电股份有限公司 | 2021-05-14 | — | — | CN | claimed |
| CN-112798735-A | Gas concentration detector, hydrogen refining device and hydrogen-water graphene battery system | 江苏莘翔机电股份有限公司 | 2021-05-14 | — | — | CN | disclosed |