⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3248349 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL4765231 | 0.71 | THRB (0.31) | — | |
| SCHEMBL10869841 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL11030153 | 0.68 | — | — | |
| Di(Hydroxyethyl)Ether SCHEMBL28287703 | 0.67 | TSHR (0.40) | — | |
| SCHEMBL2454510 | 0.65 | TRPA1 (0.36) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL4933171 | 0.64 | TSHR (0.59) | — | |
| SCHEMBL27632256 | 0.63 | TSHR (0.38) | — | |
| SCHEMBL10435652 | 0.62 | MAPK1 (0.30) | — | |
| SCHEMBL20016191 | 0.62 | MEN1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005012435-A1 | ELECTRICALLY CONDUCTIVE, FLAME RETARDANT FILLERS, METHOD OF MANUFACTURE, AND USE THEREOF | WORLD PROPERTIES, INC. (US) | 2005-02-10 | — | — | WO | disclosed |