⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13863427 | 0.71 | LMNA (0.45) | — | |
| 2,2'-Dithiodiethanesulfonic Acid SCHEMBL773704 | 0.71 | PTGS1 (0.45) | — | |
| 2,2'-Dithiodiethanesulfonic Acid SCHEMBL30887006 | 0.69 | PTGS1 (0.43) | — | |
| SCHEMBL751071 | 0.69 | LMNA (0.43) | — | |
| 2,2'-Dithiodiethanesulfonic Acid SCHEMBL32679299 | 0.69 | PTGS1 (0.43) | — | |
| SCHEMBL15282771 | 0.69 | LMNA (0.43) | — | |
| 2,2'-Dithiodiethanesulfonic Acid SCHEMBL747638 | 0.69 | PTGS1 (0.43) | — | |
| 2,2'-Dithiodiethanesulfonic Acid SCHEMBL8403166 | 0.69 | PTGS1 (0.43) | — | |
| 2,2'-Dithiodiethanesulfonic Acid SCHEMBL7864315 | 0.69 | PTGS1 (0.43) | — | |
| 2,2'-Dithiodiethanesulfonic Acid SCHEMBL836069 | 0.69 | PTGS1 (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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7829541-B2 | Compounds and methods for reducing undesired toxicity of chemotherapeutic agents | BIONUMERIK PHARMACEUTICALS, INC. (US) | 2010-11-09 | — | — | US | disclosed |
| US-7829540-B2 | Compounds and methods for reducing undesired toxicity of chemotherapeutic agents | BIONUMERIK PHARMACEUTICALS, INC. (US) | 2010-11-09 | — | — | US | disclosed |
| US-7829117-B2 | Compounds and methods for reducing undesired toxicity of chemotherapeutic agents | BIONUMERIK PHARMACEUTICALS, INC. (US) | 2010-11-09 | — | — | US | disclosed |
| US-7829539-B2 | Heteroconjugated disulfides of 2-mercaptoethane sulfonate sodium | BIONUMERIK PHARMACEUTICALS, INC. (US) | 2010-11-09 | — | — | US | disclosed |
| US-7829538-B2 | Compounds and methods for reducing undesired toxicity of chemotherapeutic agents | BIONUMERIK PHARMACEUTICALS, INC. (US) | 2010-11-09 | — | — | US | disclosed |
| US-20080161525-A1 | Compounds and methods for reducing undesired toxicity of chemotherapeutic agents | BIONUMERIK PHARMACEUTICALS, INC. | 2008-07-03 | — | — | US | disclosed |
| US-20080161603-A1 | Compounds and methods for reducing undesired toxicity of chemotherapeutic agents | BIONUMERIK PHARMACEUTICALS, INC. | 2008-07-03 | — | — | US | disclosed |
| US-20080161416-A1 | Compounds and methods for reducing undesired toxicity of chemotherapeutic agents | BIONUMERIK PHARMACEUTICASLS, INC. | 2008-07-03 | — | — | US | disclosed |
| US-20080161415-A1 | Compounds and methods for reducing undesired toxicity of chemotherapeutic agents | BIONUMERIK PHARMACEUTICALS, INC. | 2008-07-03 | — | — | US | disclosed |
| US-20080161414-A1 | Compounds and methods for reducing undesired toxicity of chemotherapeutic agents | BIONUMERIK PHARMACEUTICALS, INC. | 2008-07-03 | — | — | US | disclosed |