⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28437874 | 0.72 | — | — | |
| SCHEMBL22939495 | 0.71 | — | — | |
| SCHEMBL28426313 | 0.69 | — | — | |
| SCHEMBL15078085 | 0.67 | — | — | |
| SCHEMBL27500189 | 0.67 | — | — | |
| SCHEMBL27510995 | 0.67 | — | — | |
| SCHEMBL20660098 | 0.67 | — | — | |
| SCHEMBL8956667 | 0.63 | — | — | |
| SCHEMBL12650341 | 0.63 | — | — | |
| SCHEMBL28173833 | 0.63 | — | — |
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-102723116-B | Light-water reactor primary coolant is active to be purified | ELECTRIC RES POWER INST (US) | 2016-05-18 | — | — | CN | disclosed |
| CN-102614943-B | Synthetic for the sequester resin of the water treatment of light-water reactor | ELECTRIC POWER RESEARCH INSTITUTE, INC. (US) | 2016-05-18 | — | — | CN | disclosed |