⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6438566 | 0.75 | MGAM (0.30) | — | |
| SCHEMBL7486785 | 0.75 | HTR2C (0.32) | — | |
| SCHEMBL6436811 | 0.75 | — | — | |
| SCHEMBL271275 | 0.74 | — | — | |
| SCHEMBL10599330 | 0.72 | — | — | |
| SCHEMBL7407325 | 0.71 | LGALS8 (0.34) | — | |
| SCHEMBL9404716 | 0.70 | NLRP3 (0.34) | — | |
| SCHEMBL8612926 | 0.69 | MTNR1A (0.32) | — | |
| SCHEMBL10599843 | 0.67 | CHRM5 (0.33) | — | |
| SCHEMBL3575345 | 0.65 | NQO2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5852017-A | 2,3(1H,4H)-quinoxalinediones | BASF AKTIENGESELLSCHAFT (DE) | 1998-12-22 | — | — | US | disclosed |