⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12125884 | 0.66 | BCHE (0.31) | — | |
| SCHEMBL12791304 | 0.63 | AKT1 (0.36) | — | |
| SCHEMBL12791966 | 0.63 | AKT1 (0.33) | — | |
| SCHEMBL12791307 | 0.63 | AKT1 (0.36) | — | |
| SCHEMBL12791317 | 0.63 | AKT1 (0.36) | — | |
| SCHEMBL12791211 | 0.63 | AKT1 (0.33) | — | |
| SCHEMBL12791311 | 0.63 | AKT1 (0.36) | — | |
| SCHEMBL12791206 | 0.63 | AKT1 (0.33) | — | |
| SCHEMBL21100528 | 0.63 | CHRNA7 (0.32) | — | |
| SCHEMBL24657646 | 0.62 | — | — |
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-9627631-B2 | Organic electroluminescent materials and devices | UNIVERSAL DISPLAY CORPORATION (US) | 2017-04-18 | — | — | US | disclosed |