⚠ 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 | |
|---|---|---|---|---|
| Dl-Dithiothreitol SCHEMBL6206522 | 1.00 | LMNA (0.44) | — | |
| Dl-Dithiothreitol SCHEMBL28874716 | 1.00 | LMNA (0.44) | — | |
| Dl-Dithiothreitol SCHEMBL78921 | 1.00 | — | — | |
| Dl-Dithiothreitol SCHEMBL14496668 | 1.00 | — | — | |
| Dl-Dithiothreitol SCHEMBL87345 | 1.00 | — | — | |
| Dl-Dithiothreitol SCHEMBL10601 | 1.00 | — | — | |
| Dithiothreitol SCHEMBL538995 | 1.00 | — | — | |
| Dl-Dithiothreitol SCHEMBL21114401 | 1.00 | LMNA (0.44) | — | |
| Dl-Dithiothreitol SCHEMBL21114400 | 1.00 | LMNA (0.44) | — | |
| Dl-Dithiothreitol SCHEMBL9773253 | 0.95 | — | — |
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-9371521-B2 | Substituted pyrazinedithiol reducing agents | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2016-06-21 | — | — | US | disclosed |
| US-20150376591-A1 | SUBSTITUTED PYRAZINE DITHIOL REDUCING AGENTS | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2015-12-31 | — | — | US | disclosed |