⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10153678 | 0.96 | — | — | |
| SCHEMBL10153469 | 0.62 | — | — | |
| SCHEMBL10153466 | 0.61 | — | — | |
| SCHEMBL10153694 | 0.56 | NLRP3 (0.37) | — | |
| SCHEMBL13766212 | 0.54 | ACHE (0.36) | — | |
| SCHEMBL10153759 | 0.54 | ELANE (0.34) | — | |
| SCHEMBL9968248 | 0.54 | PGR (0.34) | — | |
| SCHEMBL10153480 | 0.52 | ALKBH5 (0.35) | — | |
| SCHEMBL23731462 | 0.51 | CNR1 (0.43) | — | |
| SCHEMBL23532354 | 0.51 | TSHR (0.39) | — |
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-8421066-B2 | Organic electroluminescence device | UDC IRELAND LIMITED (IE) | 2013-04-16 | — | — | US | disclosed |
| US-20120178928-A1 | ORGANIC ELECTROLUMINESCENCE DEVICE | FUJIFILM CORPORATION (JP) | 2012-07-12 | — | — | US | disclosed |