⚠ 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 | |
|---|---|---|---|---|
| Boric Acid SCHEMBL29245295 | 0.93 | — | — | |
| SCHEMBL3446870 | 0.72 | — | — | |
| SCHEMBL5043472 | 0.71 | LDHA (0.33) | — | |
| SCHEMBL5011109 | 0.71 | — | — | |
| SCHEMBL1049538 | 0.71 | — | — | |
| SCHEMBL28553047 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL5046074 | 0.68 | LDHA (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL340011 | 0.68 | LDHA (0.31) | — | |
| SCHEMBL27905575 | 0.68 | LDHA (0.31) | — | |
| Boric Acid SCHEMBL30909313 | 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-108475822-A | Non-aqueous electrolyte for secondary battery and the secondary cell for having it | 斯泰拉化工公司 | 2018-08-31 | — | — | CN | disclosed |