⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13749879 | 0.75 | HSD17B1 (0.30) | — | |
| SCHEMBL13816102 | 0.73 | — | — | |
| SCHEMBL13749707 | 0.69 | SRD5A1 (0.41) | — | |
| SCHEMBL13750108 | 0.69 | SIRT2 (0.33) | — | |
| SCHEMBL19880343 | 0.64 | ESR1 (0.44) | — | |
| SCHEMBL16847189 | 0.63 | — | — | |
| SCHEMBL13750340 | 0.62 | — | — | |
| SCHEMBL13750184 | 0.61 | — | — | |
| SCHEMBL13662344 | 0.61 | ESR1 (0.56) | — | |
| SCHEMBL13816202 | 0.60 | — | — |
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-20090200926-A1 | Novel organic electroluminescent compounds and organic electroluminescent device using the same | GRACEL DISPLAY INC. (KR) | 2009-08-13 | — | — | US | disclosed |