⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL310740 | 0.82 | TSHR (0.50) | — | |
| SCHEMBL28301933 | 0.79 | TSHR (0.48) | — | |
| Ethylene Glycol SCHEMBL27945549 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL15180220 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL7059046 | 0.76 | — | — | |
| SCHEMBL15180221 | 0.74 | TSHR (0.44) | — | |
| SCHEMBL8740157 | 0.74 | — | — | |
| SCHEMBL15440790 | 0.74 | TSHR (0.44) | — | |
| SCHEMBL2486997 | 0.72 | — | — | |
| SCHEMBL27505474 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3726215-A1 | SILICA NANOPARTICLES FOR BIOMARKER DIAGNOSIS AND METHOD FOR PRODUCING SAME | DxGen Corp. (KR) | 2020-10-21 | — | — | EP | disclosed |