⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1882827 | 0.83 | — | — | |
| SCHEMBL2797852 | 0.65 | — | — | |
| SCHEMBL28960740 | 0.63 | — | — | |
| SCHEMBL29264288 | 0.62 | — | — | |
| SCHEMBL226428 | 0.61 | — | — | |
| SCHEMBL373571 | 0.61 | — | — | |
| SCHEMBL15300251 | 0.60 | — | — | |
| SCHEMBL5912800 | 0.60 | — | — | |
| SCHEMBL28918158 | 0.60 | — | — | |
| SCHEMBL15227902 | 0.57 | — | — |
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-5032658-A | Hardness, unsaturated ester | POLYMER TECHNOLOGY CORPORATION (US) | 1991-07-16 | — | — | US | disclosed |