⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6430899 | 0.79 | — | — | |
| SCHEMBL30679778 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL243581 | 0.73 | GSTP1 (0.35) | — | |
| SCHEMBL421418 | 0.73 | — | — | |
| SCHEMBL19244486 | 0.72 | CYP19A1 (0.36) | — | |
| SCHEMBL27966907 | 0.71 | CYP19A1 (0.38) | — | |
| SCHEMBL19244487 | 0.71 | CYP19A1 (0.38) | — | |
| SCHEMBL4365632 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL27846413 | 0.69 | — | — | |
| SCHEMBL20554750 | 0.68 | — | — |
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-20120002138-A1 | Pattern forming ink composition, light guide plate, light emitting unit and liquid crystal display element having the light emitting unit | CHI-MEI CORPORATION | 2012-01-05 | — | — | US | disclosed |