⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17168500 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL20627486 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL17168502 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL17168508 | 0.68 | PDE1A (0.30) | — | |
| SCHEMBL20627484 | 0.68 | PDE1A (0.30) | — | |
| SCHEMBL17171318 | 0.61 | PDK2 (0.30) | — | |
| SCHEMBL9891022 | 0.59 | ALDH1A1 (0.36) | — | |
| SCHEMBL12083455 | 0.59 | ALDH1A1 (0.36) | — | |
| SCHEMBL23638139 | 0.57 | — | — | |
| SCHEMBL23638112 | 0.56 | — | — |
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-10008679-B2 | Organic electroluminescent materials and devices | UNIVERSAL DISPLAY CORPORATION (US) | 2018-06-26 | — | — | US | disclosed |