⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18806090 | 0.46 | — | — | |
| SCHEMBL19502221 | 0.45 | MAOA (0.39) | — | |
| SCHEMBL19561399 | 0.45 | AHR (0.43) | — | |
| SCHEMBL25028143 | 0.44 | ALDH1A1 (0.39) | — | |
| SCHEMBL16748840 | 0.43 | — | — | |
| SCHEMBL7221897 | 0.43 | — | — | |
| SCHEMBL1569445 | 0.43 | — | — | |
| SCHEMBL4281560 | 0.43 | — | — | |
| SCHEMBL4281557 | 0.43 | — | — | |
| SCHEMBL31276128 | 0.40 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2301921-A1 | POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | Idemitsu Kosan Co., Ltd. (JP) | 2011-03-30 | — | — | EP | disclosed |