⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6430277 | 0.80 | ALDH1A1 (0.47) | — | |
| SCHEMBL18431012 | 0.80 | ALDH1A1 (0.47) | — | |
| SCHEMBL13849266 | 0.78 | — | — | |
| SCHEMBL13825892 | 0.78 | — | — | |
| SCHEMBL13552347 | 0.78 | — | — | |
| SCHEMBL10157111 | 0.78 | — | — | |
| SCHEMBL18430476 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL15291346 | 0.74 | — | — | |
| SCHEMBL15291335 | 0.74 | — | — | |
| SCHEMBL10057517 | 0.73 | — | — |
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-2012024132-A2 | SOLUTION-PROCESSABLE ELECTRON-TRANSPORT MATERIALS AND RELATED ORGANIC OPTOELECTRONIC DEVICES | UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) | 2012-02-23 | — | — | WO | disclosed |