⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18516527 | 0.88 | FAAH (0.31) | — | |
| SCHEMBL15615571 | 0.87 | DRD2 (0.30) | — | |
| SCHEMBL18934110 | 0.79 | DRD2 (0.33) | — | |
| SCHEMBL19484813 | 0.69 | MAOA (0.35) | — | |
| SCHEMBL11348748 | 0.67 | BRD4 (0.41) | — | |
| SCHEMBL27590721 | 0.59 | ALDH1A1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL7632616 | 0.58 | KDM1A (0.37) | — | |
| SCHEMBL5076746 | 0.57 | ALOX5 (0.40) | — | |
| SCHEMBL5949483 | 0.57 | ALDH1A1 (0.69) | — | |
| SCHEMBL27862656 | 0.56 | MEN1 (0.47) | — |
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-2017073942-A1 | ELECTRON BUFFERING MATERIALS, ELECTRON TRANSPORT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2017-05-04 | — | — | WO | disclosed |