⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9455726 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL8633563 | 0.76 | — | — | |
| SCHEMBL9767988 | 0.73 | — | — | |
| SCHEMBL10574849 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL6877668 | 0.70 | — | — | |
| SCHEMBL3213724 | 0.69 | — | — | |
| SCHEMBL9817242 | 0.66 | TSHR (0.35) | — | |
| SCHEMBL9767990 | 0.65 | — | — | |
| SCHEMBL12013151 | 0.62 | ALDH1A1 (0.35) | — | |
| SCHEMBL264609 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0248596-A2 | Durable epoxy (meth) acrylic polymer with oxirane-containing terminal groups and preparation | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1987-12-09 | — | — | EP | disclosed |