⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8742563 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL70932 | 0.72 | ALDH1A1 (0.47) | — | |
| Tert-Butyl Hydroperoxide SCHEMBL3952190 | 0.72 | — | — | |
| SCHEMBL2587470 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL8983691 | 0.72 | ALDH1A1 (0.47) | — | |
| SCHEMBL43868 | 0.69 | — | — | |
| Tert-Butyl Hydroperoxide SCHEMBL8571506 | 0.69 | ALDH1A1 (0.64) | — | |
| SCHEMBL8607800 | 0.69 | TSHR (0.50) | — | |
| SCHEMBL5832169 | 0.69 | — | — | |
| SCHEMBL11527749 | 0.69 | ALDH1A1 (0.44) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2835398-B1 | ONE POT BIOCATALYTIC PEROXIDE MEDIATED CURE | ROHM & HAAS (US) | 2016-01-13 | — | — | EP | claimed |
| US-4992151-A | Method for the selective alpha halogenation of alkylaromatic compounds | THE DOW CHEMICAL COMPANY (US) | 1991-02-12 | — | — | US | claimed |
| EP-2835398-B1 | ONE POT BIOCATALYTIC PEROXIDE MEDIATED CURE | ROHM & HAAS (US) | 2016-01-13 | — | — | EP | disclosed |
| US-9150751-B2 | One pot biocatalytic peroxide mediated cure | ROHM AND HAAS COMPANY (US) | 2015-10-06 | — | — | US | disclosed |
| EP-2835398-A1 | One pot biocatalytic peroxide mediated cure | Rohm and Haas Company (US) | 2015-02-11 | — | — | EP | disclosed |
| US-20150038639-A1 | ONE POT BIOCATALYTIC PEROXIDE MEDIATED CURE | ROHM AND HAAS COMPANY | 2015-02-05 | — | — | US | disclosed |
| US-5644004-A | Multi-component ethylenically unsaturated peroxyesters | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1997-07-01 | — | — | US | disclosed |
| US-5541282-A | POLYETHERS | THE DOW CHEMICAL COMPANY (US) | 1996-07-30 | — | — | US | disclosed |
| US-5420173-A | Curing unsaturated polyesters and peroxyester compositions | ARKEMA INC. | 1995-05-30 | — | — | US | disclosed |
| EP-0440390-B1 | Process for the preparation of bisphenols | DOW CHEMICAL CO (US) | 1995-05-24 | — | — | EP | disclosed |
| US-5382710-A | Monomers for polymers such as epoxy resins, polycarbonates or polysulfones for heat resistance | THE DOW CHEMICAL COMPANY (US) | 1995-01-17 | — | — | US | disclosed |
| US-5136110-A | Reacting phenol with suitable aromatic halogen compounds; recovering triaryl bisphenols | THE DOW CHEMICAL COMPANY (US) | 1992-08-04 | — | — | US | disclosed |
| US-5064518-A | Method for the selective alpha halogenation of alkylaromatic compounds | THE DOW CHEMICAL COMPANY (US) | 1991-11-12 | — | — | US | disclosed |
| EP-0440390-A1 | Process for the preparation of bisphenols | THE DOW CHEMICAL COMPANY (US) | 1991-08-07 | — | — | EP | disclosed |
| US-4992151-A | Method for the selective alpha halogenation of alkylaromatic compounds | THE DOW CHEMICAL COMPANY (US) | 1991-02-12 | — | — | US | disclosed |
| US-4219676-A | FREE RADICAL POLYMERIZATION CATALYSTS | PENNWALT CORPORATION (US) | 1980-08-26 | — | — | US | disclosed |
| US-4079074-A | FREE RADICAL CATALYSTS, CURING AGENTS FOR UNSATURATED POLYESTERS | PENNWALT CORPORATION (US) | 1978-03-14 | — | — | US | disclosed |