⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17024458 | 0.82 | — | — | |
| SCHEMBL4468417 | 0.73 | — | — | |
| SCHEMBL3216954 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL3482079 | 0.69 | — | — | |
| SCHEMBL3482041 | 0.69 | — | — | |
| SCHEMBL1122891 | 0.65 | — | — | |
| SCHEMBL567044 | 0.62 | — | — | |
| SCHEMBL2198678 | 0.62 | — | — | |
| SCHEMBL14955 | 0.62 | — | — | |
| SCHEMBL68330 | 0.61 | DNM1 (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 |
|---|---|---|---|---|---|---|---|
| US-20150244028-A1 | NONAQUEOUS SECONDARY CELL, AND FIRE-RETARDANT AGENT AND ADDITIVE FOR NONAQUEOUS SECONDARY CELL | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2015-08-27 | — | — | US | disclosed |