⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5557989 | 1.00 | — | — | |
| SCHEMBL3070018 | 1.00 | — | — | |
| Dl-Dithiothreitol SCHEMBL29286336 | 1.00 | LMNA (0.50) | — | |
| Dl-Dithiothreitol SCHEMBL10601 | 0.84 | — | — | |
| Dl-Dithiothreitol SCHEMBL21114400 | 0.84 | LMNA (0.44) | — | |
| Dl-Dithiothreitol SCHEMBL14496668 | 0.84 | — | — | |
| Dithiothreitol SCHEMBL538995 | 0.84 | — | — | |
| Dl-Dithiothreitol SCHEMBL21114401 | 0.84 | LMNA (0.44) | — | |
| Dl-Dithiothreitol SCHEMBL17370231 | 0.84 | — | — | |
| Dl-Dithiothreitol SCHEMBL87345 | 0.84 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9963427-B2 | Dithiol mucolytic agents | PARION SCIENCES, INC. (US) | 2018-05-08 | — | — | US | disclosed |
| US-20160194278-A1 | DITHIOL MUCOLYTIC AGENTS | PARION SCIENCES, INC. (US) | 2016-07-07 | — | — | US | disclosed |
| US-20160194278-A1 | DITHIOL MUCOLYTIC AGENTS | PARION SCIENCES, INC. (US) | 2016-07-07 | — | — | US | disclosed |
| US-5300422-A | Detecting vulnerability to leukopenia during clozapine therapy | CASE WESTERN RESERVE UNIVERSITY (US) | 1994-04-05 | — | — | US | disclosed |