⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19066387 | 0.83 | CA5A (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL28064105 | 0.80 | — | — | |
| SCHEMBL11230423 | 0.80 | — | — | |
| SCHEMBL6766679 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL28609100 | 0.74 | — | — | |
| SCHEMBL21495968 | 0.74 | LMNA (0.32) | — | |
| SCHEMBL28163299 | 0.74 | FDPS (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL28064095 | 0.72 | FDPS (0.31) | — | |
| SCHEMBL28937741 | 0.70 | CYP1A2 (0.31) | — | |
| SCHEMBL6729266 | 0.70 | TSHR (0.30) | — |
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-111971841-A | Nonaqueous electrolyte for electricity storage device | 富山药品工业株式会社 | 2020-11-20 | — | — | CN | disclosed |