⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL390702 | 0.93 | — | — | |
| Water SCHEMBL31560454 | 0.86 | — | — | |
| SCHEMBL2590235 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL11451115 | 0.86 | — | — | |
| Carbon Monoxide SCHEMBL11858602 | 0.80 | — | — | |
| Sulfuric Acid SCHEMBL12818314 | 0.68 | — | — | |
| Nitrous Acid SCHEMBL27258959 | 0.57 | — | — | |
| Nitrous Acid SCHEMBL7053050 | 0.57 | ALDH1A1 (0.75) | — | |
| Nitrous Acid SCHEMBL7029964 | 0.57 | — | — | |
| Hydrogen Sulfide SCHEMBL27964056 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111743914-A | Exploring the influencing factors of the reaction of the nitroso-iron-sulfur cluster compound and the hydrogen peroxide | 上海师范大学 | 2020-10-09 | — | — | CN | disclosed |
| CN-111743914-A | Exploring the influencing factors of the reaction of the nitroso-iron-sulfur cluster compound and the hydrogen peroxide | 上海师范大学 | 2020-10-09 | — | — | CN | disclosed |
| US-8067628-B2 | Water-soluble binuclear nitrosyl iron complexes with natural aliphatic thiolyls possessing cytotoxic, apoptotic and no-donor activity | Institute of Problems of Chemcial Physics RAS (IPCP RAS) (RU) | 2011-11-29 | — | — | US | disclosed |
| US-20100190850-A1 | WATER-SOLUBLE BINUCLEAR NITROSYL IRON COMPLEXES WITH NATURAL ALIPHATIC THIOLYLS POSSESSING CYTOTOXIC, APOPTOTIC AND NO-DONOR ACTIVITY | INSTITUTE OF PROBLEMS OF CHEMICAL PHYSICS RAS (IPCP RAS) (RU) | 2010-07-29 | — | — | US | disclosed |