⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17667910 | 0.83 | CYP1A2 (0.40) | — | |
| SCHEMBL9548874 | 0.79 | CAPN1 (0.43) | — | |
| SCHEMBL20233503 | 0.78 | CAPN1 (0.34) | — | |
| SCHEMBL3141138 | 0.77 | — | — | |
| SCHEMBL7957706 | 0.77 | TSHR (0.62) | — | |
| SCHEMBL9548889 | 0.76 | CAPN1 (0.41) | — | |
| Ether SCHEMBL27618516 | 0.76 | CAPN1 (0.44) | — | |
| SCHEMBL133476 | 0.73 | TSHR (0.48) | — | |
| SCHEMBL5798655 | 0.73 | — | — | |
| SCHEMBL12672878 | 0.73 | — | — |
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-3288590-B1 | MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS AND USES THEREOF | UNIV MICHIGAN REGENTS (US) | 2021-03-03 | — | — | EP | disclosed |