⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1304 | 0.81 | — | — | |
| Water SCHEMBL1556360 | 0.78 | TSHR (0.35) | — | |
| Hydrochloric Acid SCHEMBL558179 | 0.75 | — | — | |
| Ether SCHEMBL27767498 | 0.73 | — | — | |
| SCHEMBL28898049 | 0.72 | — | — | |
| Ether SCHEMBL21409536 | 0.72 | — | — | |
| Ether SCHEMBL177065 | 0.72 | — | — | |
| Ether SCHEMBL23725937 | 0.71 | — | — | |
| Ether SCHEMBL28498771 | 0.71 | ALDH1A1 (0.37) | — | |
| Ether SCHEMBL28663930 | 0.69 | TSHR (0.35) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023167094-A1 | 5'-MODIFIED NUCLEOSIDE AND NUCLEOTIDE USING SAME | 国立大学法人大阪大学 | 2023-09-07 | — | — | WO | disclosed |
| WO-2019141229-A1 | COMPOUND AS PPAR AGONIST AND APPLICATION THEREOF | 上海怡立舍生物技术有限公司 | 2019-07-25 | — | — | WO | disclosed |
| US-20160221948-A1 | NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2016-08-04 | — | — | US | disclosed |
| EP-3045448-A1 | NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND | Sumitomo Chemical Company Limited (JP) | 2016-07-20 | — | — | EP | disclosed |
| US-5750735-A | CHEMICAL INTERMEDIATES FOR ANTIBIOTICS | AMERICAN CYANAMID COMPANY (US) | 1998-05-12 | — | — | US | disclosed |
| US-5744465-A | Method of inhibiting a β-lactamase enzyme by administering novel 2-thiosubstituted carbapenems | AMERICAN CYANAMID COMPANY (US) | 1998-04-28 | — | — | US | disclosed |
| US-5623081-A | USING BENZYLOXYACETALDEHYDE DIMETHYL ETHER, HALOGENATED 1-PHENYLMETHOXY-4-PENTEN-2-OL; CYCLIZATION | LIN YANG-I (US) | 1997-04-22 | — | — | US | disclosed |
| US-5602118-A | A 2-((2-SUBSTITUTED ALKYL)FUR-3-YL)-THIO-),3-CARBOXY-2-CARBOPENEM DERIVATIVES; EFFECTIVE AGAINST BETA-LACTAM ANTIBIOTIC-RESISTANT BACTERIA | AMERICAN CYANAMID COMPANY (US) | 1997-02-11 | — | — | US | disclosed |
| EP-0617036-A2 | Novel 2-thiosubstituted carbapenems | AMERICAN CYANAMID COMPANY (US) | 1994-09-28 | — | — | EP | disclosed |