⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18819541 | 0.99 | P2RX7 (0.30) | — | |
| SCHEMBL18819543 | 0.99 | P2RX7 (0.30) | — | |
| SCHEMBL18819545 | 0.95 | — | — | |
| SCHEMBL18818852 | 0.93 | — | — | |
| SCHEMBL18819360 | 0.93 | — | — | |
| SCHEMBL18819184 | 0.85 | P2RX7 (0.31) | — | |
| SCHEMBL21159908 | 0.84 | MAPT (0.41) | — | |
| SCHEMBL18818789 | 0.84 | P2RX7 (0.33) | — | |
| SCHEMBL18819407 | 0.84 | LMNA (0.31) | — | |
| SCHEMBL18818806 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017074053-A1 | COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME | 주식회사 엘지화학 | 2017-05-04 | — | — | WO | disclosed |
| WO-2017074052-A1 | ORGANIC LIGHT-EMITTING DEVICE | 주식회사 엘지화학 | 2017-05-04 | — | — | WO | disclosed |