⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13872502 | 0.84 | RXFP1 (0.33) | — | |
| SCHEMBL22547023 | 0.79 | — | — | |
| SCHEMBL25616342 | 0.78 | — | — | |
| SCHEMBL13540465 | 0.77 | — | — | |
| SCHEMBL13540304 | 0.77 | — | — | |
| SCHEMBL12693625 | 0.77 | — | — | |
| SCHEMBL20107147 | 0.77 | ALOX5 (0.34) | — | |
| SCHEMBL24405252 | 0.77 | — | — | |
| SCHEMBL13511546 | 0.77 | — | — | |
| SCHEMBL13540636 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2463351-A2 | Light emitting device material and light emitting device | Toray Industries, Inc. (JP) | 2012-06-13 | — | — | EP | disclosed |
| EP-2463352-A2 | Light emitting device material and light emitting device | Toray Industries, Inc. (JP) | 2012-06-13 | — | — | EP | disclosed |