⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25621578 | 0.92 | — | — | |
| SCHEMBL22068900 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL20859796 | 0.81 | NR1H4 (0.36) | — | |
| SCHEMBL19866402 | 0.80 | MAPT (0.33) | — | |
| SCHEMBL23417365 | 0.76 | — | — | |
| SCHEMBL17622363 | 0.75 | ALDH1A1 (0.47) | — | |
| SCHEMBL18388620 | 0.71 | KDM4E (0.42) | — | |
| SCHEMBL22036185 | 0.71 | BIRC5 (0.36) | — | |
| SCHEMBL19268911 | 0.70 | KDM4E (0.39) | — | |
| SCHEMBL25805421 | 0.69 | APP (0.41) | — |
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-11667618-B2 | Azulene ring-containing compound, its use, and an organic photoelectric device including the same | WUHAN TIANMA MICRO-ELECTRONICS CO., LTD. (CN) | 2023-06-06 | — | — | US | disclosed |