⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7904808 | 0.85 | HTR2C (0.31) | — | |
| SCHEMBL23279560 | 0.83 | SIGMAR1 (0.32) | — | |
| SCHEMBL18543794 | 0.81 | — | — | |
| SCHEMBL13165400 | 0.80 | HTR2C (0.39) | — | |
| SCHEMBL9498766 | 0.80 | HTR2C (0.39) | — | |
| SCHEMBL14492917 | 0.76 | — | — | |
| SCHEMBL18769573 | 0.74 | — | — | |
| SCHEMBL20927408 | 0.73 | — | — | |
| SCHEMBL24784855 | 0.70 | — | — | |
| Alcohol SCHEMBL14108705 | 0.70 | — | — |
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-3492104-A1 | USE OF 10H-BENZO [G] PTERIDIN-2,4-DION DERIVATIVES | Trioptotec GmbH (DE) | 2019-06-05 | — | — | EP | disclosed |