⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18217193 | 0.96 | APP (0.32) | — | |
| SCHEMBL18217178 | 0.87 | APP (0.31) | — | |
| SCHEMBL21134088 | 0.84 | APP (0.33) | — | |
| SCHEMBL21241758 | 0.82 | APP (0.33) | — | |
| SCHEMBL19799086 | 0.81 | APP (0.32) | — | |
| SCHEMBL16265228 | 0.80 | APP (0.36) | — | |
| SCHEMBL22022374 | 0.77 | APP (0.39) | — | |
| SCHEMBL21774728 | 0.76 | APP (0.36) | — | |
| SCHEMBL16546541 | 0.75 | APP (0.36) | — | |
| SCHEMBL16546543 | 0.75 | APP (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10738240-B2 | Thiadiazoloquinoxaline derivatives | MERCK PATENT GMBH (DE) | 2020-08-11 | — | — | US | disclosed |
| US-20180142153-A1 | THIADIAZOLOQUINOXALINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2018-05-24 | — | — | US | disclosed |