⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18965437 | 0.86 | — | — | |
| SCHEMBL26509642 | 0.86 | — | — | |
| SCHEMBL18965441 | 0.84 | MEN1 (0.33) | — | |
| SCHEMBL18965446 | 0.83 | CYP1A1 (0.37) | — | |
| SCHEMBL18965434 | 0.78 | — | — | |
| SCHEMBL27254247 | 0.78 | P2RX7 (0.35) | — | |
| SCHEMBL18965442 | 0.77 | — | — | |
| SCHEMBL27460043 | 0.77 | P2RX7 (0.39) | — | |
| SCHEMBL18818865 | 0.76 | P2RX7 (0.31) | — | |
| SCHEMBL27380717 | 0.76 | HSD17B1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017099430-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 주식회사 두산 | 2017-06-15 | — | — | WO | disclosed |