⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12887604 | 0.85 | — | — | |
| Bromide SCHEMBL28241778 | 0.79 | TSHR (0.44) | — | |
| SCHEMBL2935515 | 0.75 | DPP4 (0.46) | — | |
| SCHEMBL2300144 | 0.72 | — | — | |
| SCHEMBL627751 | 0.72 | — | — | |
| SCHEMBL9798387 | 0.71 | — | — | |
| SCHEMBL2334628 | 0.71 | — | — | |
| SCHEMBL1609437 | 0.71 | — | — | |
| SCHEMBL28457951 | 0.69 | DPP4 (0.40) | — | |
| SCHEMBL8417613 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117917397-A | Method for synthesizing N, N-dihydroxymethyl tert-butylamine | 黑龙江华瑞生物科技有限公司 | 2024-04-23 | — | — | CN | claimed |
| CN-117917397-A | Method for synthesizing N, N-dihydroxymethyl tert-butylamine | 黑龙江华瑞生物科技有限公司 | 2024-04-23 | — | — | CN | disclosed |
| CN-117616007-A | Pore-forming agent, positive electrode slurry, positive electrode plate substrate, battery monomer, preparation method of battery monomer, battery module, battery pack and power utilization device | 宁德时代新能源科技股份有限公司 | 2024-02-27 | — | — | CN | disclosed |