⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL64716 | 0.95 | — | — | |
| SCHEMBL10623380 | 0.95 | NFKB1 (0.54) | — | |
| SCHEMBL20178517 | 0.95 | NFKB1 (0.54) | — | |
| SCHEMBL1537923 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL4489744 | 0.91 | — | — | |
| SCHEMBL8014825 | 0.91 | — | — | |
| Potassium SCHEMBL18585217 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL6335251 | 0.91 | — | — | |
| Water SCHEMBL7464138 | 0.91 | — | — | |
| SCHEMBL8017494 | 0.91 | — | — |
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-119954245-A | Deoxidization method for nuclear power station secondary loop system | 苏州热工研究院有限公司 | 2025-05-09 | — | — | CN | disclosed |