⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21454023 | 0.88 | MAOA (0.36) | — | |
| SCHEMBL21453628 | 0.85 | ALDH1A1 (0.36) | — | |
| SCHEMBL21454063 | 0.82 | KDM4E (0.33) | — | |
| SCHEMBL19319640 | 0.78 | MAOA (0.39) | — | |
| SCHEMBL21453623 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL19318078 | 0.75 | MAOA (0.37) | — | |
| SCHEMBL18199803 | 0.73 | MAOA (0.42) | — | |
| SCHEMBL18199800 | 0.73 | P2RX4 (0.38) | — | |
| SCHEMBL21453668 | 0.73 | GPR3 (0.42) | — | |
| SCHEMBL21454021 | 0.72 | MAOA (0.36) | — |
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-20190312210-A1 | ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE | SAMSUNG DISPLAY CO., LTD. (KR) | 2019-10-10 | — | — | US | disclosed |