⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18217302 | 0.90 | KDM4E (0.30) | — | |
| SCHEMBL18217130 | 0.87 | ESR1 (0.30) | — | |
| SCHEMBL20176726 | 0.87 | — | — | |
| SCHEMBL18217186 | 0.86 | CRHR1 (0.30) | — | |
| SCHEMBL20176730 | 0.85 | KDM4E (0.31) | — | |
| SCHEMBL18217194 | 0.85 | — | — | |
| SCHEMBL21594572 | 0.83 | ESR1 (0.32) | — | |
| SCHEMBL21241719 | 0.83 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL20176734 | 0.82 | RARB (0.37) | — | |
| SCHEMBL21019971 | 0.82 | — | — |
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 3 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 |
| US-20180142153-A1 | THIADIAZOLOQUINOXALINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2018-05-24 | — | — | US | disclosed |