⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15061276 | 0.82 | TSHR (0.39) | — | |
| SCHEMBL20820753 | 0.81 | TP53 (0.35) | — | |
| SCHEMBL16137224 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL25445993 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL18995554 | 0.77 | — | — | |
| SCHEMBL19215638 | 0.77 | — | — | |
| SCHEMBL7879184 | 0.76 | — | — | |
| SCHEMBL270221 | 0.76 | — | — | |
| SCHEMBL7870539 | 0.76 | — | — | |
| SCHEMBL22318546 | 0.74 | CYP2C19 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4289852-A1 | 5,6-DIHYDROTHIENO[3,4-H]QUINAZOLINE COMPOUND | Medshine Discovery Inc. (CN) | 2023-12-13 | — | — | EP | disclosed |
| US-20150182477-A1 | Compositions and Methods for Treating Alzheimers Disease | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2015-07-02 | — | — | US | disclosed |