⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27497848 | 0.79 | — | — | |
| SCHEMBL27997161 | 0.75 | — | — | |
| SCHEMBL29211159 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL29287680 | 0.71 | MCL1 (0.32) | — | |
| SCHEMBL1142747 | 0.71 | — | — | |
| SCHEMBL536361 | 0.69 | — | — | |
| SCHEMBL17224872 | 0.69 | — | — | |
| SCHEMBL8158870 | 0.69 | — | — | |
| Ammonia Solution, Strong SCHEMBL6569481 | 0.69 | — | — | |
| SCHEMBL29672320 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003092643-A1 | LIGHT-PROTECTION FORMULATIONS USING ACRYLONITRILE DERIVATIVES | SYMRISE GMBH & CO. KG (DE) | 2003-11-13 | — | — | WO | disclosed |