⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL112204 | 0.85 | TSHR (0.63) | — | |
| SCHEMBL15282755 | 0.83 | TSHR (0.60) | — | |
| SCHEMBL3086758 | 0.81 | TSHR (0.57) | — | |
| SCHEMBL1845437 | 0.79 | TSHR (0.55) | — | |
| SCHEMBL1709989 | 0.79 | — | — | |
| SCHEMBL1736007 | 0.77 | TSHR (0.52) | — | |
| SCHEMBL5414056 | 0.77 | — | — | |
| SCHEMBL22345266 | 0.77 | — | — | |
| SCHEMBL10606947 | 0.77 | TSHR (0.52) | — | |
| SCHEMBL579015 | 0.77 | HSD17B10 (0.64) | — |
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-20180043030-A1 | DEGRADABLE THIOL-ENE POLYMERS AND METHODS OF MAKING THEREOF | MOSAIC BIOSCIENCES, INC. | 2018-02-15 | — | — | US | disclosed |