⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL703870 | 0.85 | TYR (0.31) | — | |
| Ethane SCHEMBL29193627 | 0.82 | SHBG (0.30) | — | |
| SCHEMBL140952 | 0.81 | — | — | |
| SCHEMBL151729 | 0.77 | — | — | |
| SCHEMBL29552434 | 0.77 | — | — | |
| SCHEMBL11348950 | 0.77 | ACHE (0.30) | — | |
| SCHEMBL8195431 | 0.77 | — | — | |
| SCHEMBL562766 | 0.74 | PTPN1 (0.31) | — | |
| SCHEMBL93389 | 0.74 | — | — | |
| SCHEMBL8650783 | 0.74 | — | — |
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-4451550-A | BRANCHED ENDCAPPED EPOXY RESIN | JAMES RIVER GRAPHICS, INC. (US) | 1984-05-29 | — | — | US | disclosed |