⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL300908 | 0.82 | TET2 (0.34) | — | |
| SCHEMBL9421261 | 0.79 | — | — | |
| SCHEMBL145239 | 0.77 | — | — | |
| SCHEMBL11573490 | 0.76 | THRB (0.35) | — | |
| SCHEMBL6827082 | 0.75 | — | — | |
| SCHEMBL10355232 | 0.75 | PPARG (0.31) | — | |
| SCHEMBL1878571 | 0.75 | GSTP1 (0.30) | — | |
| SCHEMBL9421263 | 0.74 | THRB (0.37) | — | |
| SCHEMBL28898953 | 0.74 | — | — | |
| SCHEMBL1824279 | 0.74 | TP53 (0.31) | — |
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-5120574-A | Pretreatment with (meth)acrylate and unsaturated polyester overcoating; curing | W.R. GRACE & CO.-CONN. (US) | 1992-06-09 | — | — | US | disclosed |