⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15297235 | 0.83 | THRB (0.32) | — | |
| SCHEMBL21055740 | 0.82 | — | — | |
| SCHEMBL10532437 | 0.82 | — | — | |
| SCHEMBL1786503 | 0.81 | THRB (0.31) | — | |
| SCHEMBL11542545 | 0.81 | ALDH1A1 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL29598751 | 0.79 | THRB (0.30) | — | |
| SCHEMBL5165277 | 0.79 | — | — | |
| SCHEMBL29565734 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL29566798 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL21056622 | 0.77 | ALDH1A1 (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-11292763-B2 | Methods of making a polyfluorinated allyl ether and compounds relating to the methods | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2022-04-05 | — | — | US | disclosed |