⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10501557 | 0.82 | CD274 (0.34) | — | |
| SCHEMBL10747300 | 0.81 | NR4A2 (0.33) | — | |
| SCHEMBL10748041 | 0.81 | METAP2 (0.38) | — | |
| SCHEMBL10501665 | 0.77 | METAP2 (0.42) | — | |
| SCHEMBL10501845 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL10745189 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL10747582 | 0.75 | METAP2 (0.40) | — | |
| SCHEMBL11020733 | 0.72 | METAP2 (0.38) | — | |
| SCHEMBL10747318 | 0.72 | KDM4E (0.32) | — | |
| SCHEMBL10748075 | 0.72 | MAPT (0.40) | — |
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-4711961-A | Benzisoselenazolethiones and process for the treatment of various diseases in humans | A. NATTERMANN & CIE GMBH (DE) | 1987-12-08 | — | — | US | disclosed |
| EP-0154851-A1 | Benzisoselenazolethiones,process for their preparation and pharmaceutical products containing these compounds | A. Nattermann & Cie. GmbH (DE) | 1985-09-18 | — | — | EP | disclosed |