⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL339422 | 0.97 | — | — | |
| Ethylene SCHEMBL27524712 | 0.90 | — | — | |
| Dimethylamine SCHEMBL5398096 | 0.88 | ALDH1A1 (0.42) | — | |
| Trimethylammonium SCHEMBL5387477 | 0.88 | ALDH1A1 (0.35) | — | |
| Methylethylamine SCHEMBL5394829 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL5395116 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL204297 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL2767718 | 0.76 | ALDH1A1 (0.41) | — | |
| SCHEMBL5441885 | 0.74 | KDM5A (0.35) | — | |
| SCHEMBL27554009 | 0.73 | ALDH1A1 (0.39) | — |
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-2010067906-A1 | COMPOSITION FOR PATTERNING ON THERMOSTABLE TRANSPARENT INSULATOR THIN FILM AND PATTERNING METHOD OF THIN FILM | APM INC. (KR) | 2010-06-17 | — | — | WO | disclosed |