⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL28232266 | 1.00 | — | — | |
| Hydrogen Peroxide SCHEMBL367583 | 1.00 | — | — | |
| Hydrogen Peroxide SCHEMBL26604180 | 1.00 | — | — | |
| Hydrogen Peroxide SCHEMBL364441 | 1.00 | CA1 (0.33) | — | |
| Hydrogen Peroxide SCHEMBL3463019 | 0.87 | — | — | |
| Hydrogen Peroxide SCHEMBL4015751 | 0.87 | — | — | |
| Hydrogen Peroxide SCHEMBL28365767 | 0.87 | — | — | |
| Hydrogen Peroxide SCHEMBL4003819 | 0.87 | — | — | |
| Hydrogen Peroxide SCHEMBL11441500 | 0.87 | — | — | |
| Hydrogen Peroxide SCHEMBL5689163 | 0.87 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108324576-A | A kind of Gastroenterology dept.'s vomit collection storage | 吴伟祥 | 2018-07-27 | — | — | CN | disclosed |
| US-20120064574-A1 | METHOD FOR CONVERTING LIGNOCELLULOSIC BIOMASS | Incorp Adm Agency, Nat'l Agr & Food Res Org (JP) | 2012-03-15 | — | — | US | disclosed |
| US-5753718-A | CURED FLUOROELASTOMERIC ADDITION POLYMER FOAMS WITH PHENOL-BASED BLOWING AGENTS | ACADIA POLYMERS (US) | 1998-05-19 | — | — | US | disclosed |