⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL29067004 | 0.97 | ALDH1A1 (0.42) | — | |
| Ethylene SCHEMBL28734103 | 0.94 | ALDH1A1 (0.40) | — | |
| SCHEMBL9007767 | 0.94 | ALDH1A1 (0.44) | — | |
| SCHEMBL203518 | 0.83 | ALDH1A1 (0.44) | — | |
| SCHEMBL20680488 | 0.80 | ALDH1A1 (0.41) | — | |
| Fluoromethane SCHEMBL28191693 | 0.78 | ALDH1A1 (0.39) | — | |
| Ethylene SCHEMBL27488666 | 0.78 | ALDH1A1 (0.39) | — | |
| Acetone SCHEMBL28852265 | 0.76 | LMNA (0.46) | — | |
| Dimethylamine SCHEMBL5389239 | 0.75 | ALDH1A1 (0.44) | — | |
| Trimethylammonium SCHEMBL5391194 | 0.75 | ALDH1A1 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5072013-A | For, sealing concrete | HENKEL RESEARCH CORPORATION (US) | 1991-12-10 | — | — | US | disclosed |
| WO-1991007414-A1 | SILYLATED OCTENYL ETHERS | HENKEL RESEARCH CORPORATION (US) | 1991-05-30 | — | — | WO | disclosed |