⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21165383 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL23343245 | 0.82 | — | — | |
| SCHEMBL8951693 | 0.77 | TSHR (0.34) | — | |
| SCHEMBL8951690 | 0.77 | TSHR (0.34) | — | |
| SCHEMBL22571256 | 0.70 | — | — | |
| SCHEMBL21699062 | 0.68 | — | — | |
| SCHEMBL3475833 | 0.68 | — | — | |
| SCHEMBL3475832 | 0.68 | — | — | |
| SCHEMBL16114118 | 0.64 | TSHR (0.52) | — | |
| SCHEMBL16114116 | 0.64 | TSHR (0.52) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9847497-B2 | Organic electroluminescent materials and devices | UNIVERSAL DISPLAY CORPORATION (US) | 2017-12-19 | — | — | US | disclosed |
| US-9590195-B2 | Organic electroluminescent materials and devices | UNIVERSAL DISPLAY CORPORATION (US) | 2017-03-07 | — | — | US | disclosed |