⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL891353 | 0.76 | — | — | |
| SCHEMBL28293471 | 0.72 | — | — | |
| SCHEMBL891044 | 0.69 | HMBS (0.39) | — | |
| SCHEMBL29707330 | 0.67 | LMNA (0.46) | — | |
| SCHEMBL3156099 | 0.66 | HMBS (0.36) | — | |
| SCHEMBL12778243 | 0.63 | — | — | |
| SCHEMBL15270426 | 0.63 | ALDH1A1 (0.40) | — | |
| SCHEMBL20309 | 0.61 | — | — | |
| SCHEMBL10073223 | 0.61 | — | — | |
| SCHEMBL12811143 | 0.60 | HCAR2 (0.39) | — |
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-109755647-A | A kind of magnesium battery electrolyte | 麻城市天力科技有限公司 | 2019-05-14 | — | — | CN | disclosed |