⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8994872 | 0.81 | THRB (0.39) | — | |
| SCHEMBL6139633 | 0.75 | TSHR (0.44) | — | |
| SCHEMBL9614658 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL112379 | 0.74 | — | — | |
| SCHEMBL26756519 | 0.74 | — | — | |
| SCHEMBL17476629 | 0.73 | THRB (0.44) | — | |
| SCHEMBL891844 | 0.73 | — | — | |
| SCHEMBL3751287 | 0.73 | — | — | |
| SCHEMBL2490676 | 0.73 | — | — | |
| SCHEMBL18054807 | 0.73 | — | — |
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-20160093916-A1 | ELECTROLYTE, METHOD OF PREPARING THE ELECTROLYTE, AND SECONDARY BATTERY INCLUDING THE ELECTROLYTE | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2016-03-31 | — | — | US | disclosed |