⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23763589 | 0.83 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL23763729 | 0.83 | — | — | |
| SCHEMBL23763599 | 0.80 | — | — | |
| SCHEMBL23763732 | 0.79 | HTR1D (0.31) | — | |
| SCHEMBL23763512 | 0.78 | — | — | |
| SCHEMBL23763600 | 0.77 | PDE2A (0.33) | — | |
| SCHEMBL23763374 | 0.76 | — | — | |
| SCHEMBL23763740 | 0.76 | PDE2A (0.31) | — | |
| SCHEMBL23763743 | 0.75 | HTR1D (0.32) | — | |
| SCHEMBL23763561 | 0.71 | PGR (0.30) | — |
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-3865486-A1 | HETEROCYCLIC COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE HETEROCYCLIC COMPOUND | IDEMITSU KOSAN CO., LTD. (JP) | 2021-08-18 | — | — | EP | disclosed |