⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13787408 | 0.93 | — | — | |
| SCHEMBL417007 | 0.77 | — | — | |
| Lithium SCHEMBL3889628 | 0.71 | — | — | |
| Fluoride SCHEMBL29217921 | 0.71 | — | — | |
| Potassium SCHEMBL3894532 | 0.71 | — | — | |
| SCHEMBL3898396 | 0.71 | — | — | |
| Boric Acid SCHEMBL1471922 | 0.68 | LMNA (0.80) | — | |
| Boric Acid SCHEMBL1109735 | 0.68 | — | — | |
| Boric Acid SCHEMBL28248871 | 0.68 | — | — | |
| SCHEMBL12419511 | 0.67 | — | — |
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-108588753-A | A kind of nickel-base catalyst and preparation method being used to prepare the special hydrogen of fuel cell | 成都新柯力化工科技有限公司 | 2018-09-28 | — | — | CN | disclosed |