⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23763559 | 0.87 | PON1 (0.33) | — | |
| SCHEMBL23763560 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL23763557 | 0.78 | HTR1D (0.34) | — | |
| SCHEMBL23763731 | 0.77 | HTR1D (0.33) | — | |
| SCHEMBL23763732 | 0.76 | HTR1D (0.31) | — | |
| SCHEMBL23763735 | 0.73 | PGR (0.30) | — | |
| SCHEMBL23763745 | 0.73 | TNF (0.33) | — | |
| SCHEMBL23763499 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL26179228 | 0.72 | PON1 (0.44) | — | |
| SCHEMBL23763592 | 0.71 | TNF (0.33) | — |
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 |