⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL9418166 | 1.00 | THRB (0.46) | — | |
| SCHEMBL437448 | 0.94 | — | — | |
| Fluoride SCHEMBL1975982 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL8694521 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL28440228 | 0.78 | THRB (0.46) | — | |
| Ammonia Solution, Strong SCHEMBL11005032 | 0.76 | — | — | |
| Tert-Butanol SCHEMBL10864527 | 0.76 | ALDH1A1 (0.42) | — | |
| Tert-Butanol SCHEMBL115580 | 0.76 | — | — | |
| Tert-Butanol SCHEMBL326929 | 0.76 | — | — | |
| Tert-Butanol SCHEMBL28111019 | 0.76 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2588502-B1 | POLYMERIZATION PROCESS WITH IN-SITU INITIATOR FORMATION | NOURYON CHEMICALS INT BV (NL) | 2021-03-31 | — | — | EP | disclosed |
| US-8987391-B2 | Polymerization process with in-situ initiator formation | AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) | 2015-03-24 | — | — | US | disclosed |
| US-20130211019-A1 | Polymerization Process with In-Situ Initiator Formation | AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) | 2013-08-15 | — | — | US | disclosed |
| EP-2588502-A1 | POLYMERIZATION PROCESS WITH IN-SITU INITIATOR FORMATION | Akzo Nobel Chemicals International B.V. (NL) | 2013-05-08 | — | — | EP | disclosed |
| WO-2012000916-A1 | POLYMERIZATION PROCESS WITH IN-SITU INITIATOR FORMATION | AKZO NOBEL CHEMICALS INTERNATIONAL B.V. (NL) | 2012-01-05 | — | — | WO | disclosed |
| US-4008175-A | Organic acid anhydride-peroxydicarbonate composition | PPG INDUSTRIES, INC. (US) | 1977-02-15 | — | — | US | disclosed |
| US-3984386-A | Polymerization of ethylenically unsaturated monomer with dialkyl pyrocarbonate and hydrogen peroxide | PPG INDUSTRIES, INC. (US) | 1976-10-05 | — | — | US | disclosed |