⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18934920 | 0.94 | — | — | |
| SCHEMBL18935364 | 0.88 | CSNK2A2 (0.31) | — | |
| SCHEMBL18934908 | 0.85 | — | — | |
| SCHEMBL18935324 | 0.83 | CSNK2A2 (0.31) | — | |
| SCHEMBL18935128 | 0.82 | — | — | |
| SCHEMBL18935386 | 0.82 | P2RX7 (0.32) | — | |
| SCHEMBL18935392 | 0.81 | — | — | |
| SCHEMBL18935395 | 0.81 | CA12 (0.32) | — | |
| SCHEMBL18935125 | 0.81 | — | — | |
| SCHEMBL27393028 | 0.81 | MEN1 (0.30) | — |
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-2017095100-A1 | ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME | 주식회사 두산 | 2017-06-08 | — | — | WO | disclosed |