⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5574461 | 0.80 | CA2 (0.30) | — | |
| SCHEMBL13039358 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL5572367 | 0.76 | — | — | |
| SCHEMBL18176769 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL5571146 | 0.73 | ADAM17 (0.30) | — | |
| SCHEMBL27924460 | 0.71 | — | — | |
| SCHEMBL27717869 | 0.71 | NLRP3 (0.32) | — | |
| SCHEMBL5571540 | 0.71 | CA2 (0.39) | — | |
| SCHEMBL5572369 | 0.71 | CA2 (0.33) | — | |
| SCHEMBL18176775 | 0.70 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20160315354-A1 | ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY CELL, AND MODULE | DAIKIN INDUSTRIES, LTD. (JP) | 2016-10-27 | — | — | US | disclosed |