⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL277478 | 0.73 | — | — | |
| SCHEMBL4937668 | 0.71 | — | — | |
| SCHEMBL8993350 | 0.71 | — | — | |
| SCHEMBL10968945 | 0.69 | — | — | |
| SCHEMBL10968946 | 0.69 | — | — | |
| SCHEMBL11665930 | 0.69 | — | — | |
| Acrylonitrile SCHEMBL10624079 | 0.67 | ALDH1A1 (0.45) | — | |
| SCHEMBL11293492 | 0.67 | — | — | |
| SCHEMBL11501130 | 0.67 | — | — | |
| SCHEMBL11340026 | 0.66 | — | — |
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-5130322-A | CHROMAN DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-07-14 | — | — | US | disclosed |