⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25028393 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL799182 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL22624237 | 0.78 | — | — | |
| SCHEMBL23189561 | 0.78 | — | — | |
| SCHEMBL25100358 | 0.76 | — | — | |
| SCHEMBL21975780 | 0.73 | — | — | |
| SCHEMBL77807 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL23059207 | 0.71 | — | — | |
| SCHEMBL21888750 | 0.71 | — | — | |
| SCHEMBL21889315 | 0.71 | — | — |
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-10301338-B2 | Organic electroluminescent materials and devices | UNIVERSAL DISPLAY CORPORATION (US) | 2019-05-28 | — | — | US | disclosed |