⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23773018 | 0.92 | PDK2 (0.30) | — | |
| SCHEMBL23753730 | 0.90 | DUSP3 (0.31) | — | |
| SCHEMBL23772984 | 0.82 | — | — | |
| SCHEMBL23772985 | 0.82 | PDK2 (0.30) | — | |
| SCHEMBL23772983 | 0.81 | DUSP3 (0.31) | — | |
| SCHEMBL23772975 | 0.79 | — | — | |
| SCHEMBL23772730 | 0.79 | — | — | |
| SCHEMBL23753722 | 0.75 | KDM4E (0.38) | — | |
| SCHEMBL23773023 | 0.74 | — | — | |
| SCHEMBL23772911 | 0.72 | ALDH1A1 (0.32) | — |
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-20210253446-A1 | ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES | UNIVERSAL DISPLAY CORPORATION (US) | 2021-08-19 | — | — | US | disclosed |