⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9269488 | 0.89 | TUBB4A (0.33) | — | |
| SCHEMBL16689839 | 0.88 | — | — | |
| SCHEMBL13892806 | 0.85 | NISCH (0.30) | — | |
| SCHEMBL9264276 | 0.82 | TUBB4A (0.34) | — | |
| SCHEMBL9261768 | 0.81 | ENPP3 (0.34) | — | |
| SCHEMBL9268151 | 0.81 | — | — | |
| SCHEMBL13892618 | 0.81 | ENPP3 (0.34) | — | |
| SCHEMBL13892744 | 0.81 | MEN1 (0.35) | — | |
| SCHEMBL13892722 | 0.80 | TUBB4A (0.31) | — | |
| SCHEMBL13892739 | 0.79 | TUBB4A (0.31) | — |
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-2457912-A1 | Compound having pyridoindole ring structure having substituted pyridyl group attached thereto, and organic electroluminescence element | Hodogaya Chemical Co., Ltd. (JP) | 2012-05-30 | — | — | EP | disclosed |