⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL531147 | 0.72 | — | — | |
| SCHEMBL3975001 | 0.61 | — | — | |
| SCHEMBL63975 | 0.61 | — | — | |
| SCHEMBL127813 | 0.61 | — | — | |
| Propylamine SCHEMBL448871 | 0.58 | — | — | |
| Propylamine SCHEMBL1330797 | 0.58 | — | — | |
| Water SCHEMBL8782173 | 0.55 | — | — | |
| Water SCHEMBL16713419 | 0.55 | — | — | |
| SCHEMBL23961 | 0.55 | — | — | |
| Ethylenediamine SCHEMBL7085968 | 0.55 | NFKB1 (0.50) | — |
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 117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100497494-C | Discoloration prevention in pyrithione-containing coating compositions | ARCH CHEM INC (US) | 2009-06-10 | — | — | CN | claimed |
| CN-1624055-A | Discoloration prevention in pyrithione-containing coating compositions | ARCH CHEM INC (US) | 2005-06-08 | — | — | CN | claimed |
| US-4952690-A | 6-substituted thia-aza compounds | CIBA-GEIGY CORPORATION (US) | 1990-08-28 | — | — | US | claimed |
| EP-0018063-B1 | PYRIDAZIN (2H)-3-ONES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN ANTIHYPERTENSIVE AGENTS | DIAMOND SHAMROCK CORPORATION (US) | 1983-02-23 | — | — | EP | claimed |
| US-3976641-A | Cephalosporin intermediates and process therefor | SMITHKLINE CORPORATION (US) | 1976-08-24 | — | — | US | claimed |
| CN-118165062-A | Synthesis method and application of one-pot method for synthesizing dicyclo-stapler peptide in one-pot method | 河北大学 | 2024-06-11 | — | — | CN | disclosed |
| EP-2657227-B1 | NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE | WESTERN THERAPEUTICS INST INC D (JP) | 2016-04-27 | — | — | EP | disclosed |
| CN-102448941-B | The isoquinilone derivatives replaced | D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) | 2016-04-06 | — | — | CN | disclosed |
| EP-2444395-B1 | SUBSTITUTED ISOQUINOLINE DERIVATIVE | WESTERN THERAPEUTICS INST INC D (JP) | 2016-01-06 | — | — | EP | disclosed |
| US-8951997-B2 | Substituted isoquinoline derivative | D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) | 2015-02-10 | — | — | US | disclosed |
| US-8883792-B2 | Substituted isoquinoline derivative | D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) | 2014-11-11 | — | — | US | disclosed |
| EP-2657227-A1 | NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE | D. Western Therapeutics Institute, Inc. (JP) | 2013-10-30 | — | — | EP | disclosed |
| US-4394384-A | ANTIBIOTICS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1983-07-19 | — | — | US | disclosed |
| EP-0003960-B1 | 6-SUBSTITUTED THIA-AZA-COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | CIBA-GEIGY AG (CH) | 1983-06-29 | — | — | EP | disclosed |
| EP-0069378-A2 | Antibacterial penem derivatives | HOECHST UK LIMITED (GB) | 1983-01-12 | — | — | EP | disclosed |
| US-4331676-A | 2-PENEM COMPOUNDS UNSUBSTITUTED IN THE 6 POSITION | CIBA-GEIGY CORPORATION (US) | 1982-05-25 | — | — | US | disclosed |
| EP-0042026-A1 | 3,4-Disubstituted azetidin-2-on compounds and process for their preparation | CIBA-GEIGY AG (CH) | 1981-12-23 | — | — | EP | disclosed |
| EP-0041768-A2 | Beta-lactam compounds, their preparation and use | BEECHAM GROUP PLC (GB) | 1981-12-16 | — | — | EP | disclosed |
| EP-0025199-A2 | Cephem compounds, processes for their preparation and pharmaceutical compositions containing them | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1981-03-18 | — | — | EP | disclosed |
| EP-0003960-A1 | 6-Substituted thia-aza-compounds, their preparation and pharmaceutical compositions containing them | CIBA-GEIGY AG (CH) | 1979-09-19 | — | — | EP | disclosed |