⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16525530 | 0.96 | — | — | |
| SCHEMBL16521681 | 0.91 | NR1H2 (0.34) | — | |
| SCHEMBL16525531 | 0.91 | — | — | |
| SCHEMBL16521640 | 0.87 | NR1H2 (0.32) | — | |
| SCHEMBL16525566 | 0.85 | — | — | |
| SCHEMBL16521668 | 0.83 | PDE6D (0.30) | — | |
| SCHEMBL16521682 | 0.81 | MEN1 (0.32) | — | |
| SCHEMBL16521690 | 0.76 | — | — | |
| SCHEMBL16525562 | 0.74 | POLB (0.35) | — | |
| SCHEMBL19757548 | 0.67 | ESR1 (0.37) | — |
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-20150053894-A1 | Charge-transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications | Molaire Consulting | 2015-02-26 | — | — | US | disclosed |