⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL214543 | 0.80 | TDP1 (0.39) | — | |
| SCHEMBL23765036 | 0.80 | AHR (0.49) | — | |
| SCHEMBL214650 | 0.73 | SLC9A1 (0.41) | — | |
| SCHEMBL18271573 | 0.71 | DYRK1A (0.33) | — | |
| SCHEMBL3566155 | 0.70 | AHR (0.53) | — | |
| SCHEMBL22903240 | 0.68 | ALDH1A1 (0.43) | — | |
| SCHEMBL8758709 | 0.66 | ALDH1A1 (0.45) | — | |
| SCHEMBL12037211 | 0.66 | ESR1 (0.50) | — | |
| SCHEMBL12037163 | 0.66 | ESR1 (0.50) | — | |
| SCHEMBL21205978 | 0.66 | MAOB (0.38) | — |
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-2021162384-A1 | COMPOUND FOR ORGANIC ELECTRIC DEVICE, ORGANIC ELECTRIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF | 덕산네오룩스 주식회사 | 2021-08-19 | — | — | WO | disclosed |