⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9204182 | 1.00 | — | — | |
| SCHEMBL15592135 | 1.00 | — | — | |
| SCHEMBL18895838 | 0.80 | — | — | |
| SCHEMBL30478960 | 0.78 | TRPA1 (0.32) | — | |
| SCHEMBL21847624 | 0.77 | — | — | |
| SCHEMBL14327378 | 0.77 | — | — | |
| SCHEMBL9207598 | 0.77 | — | — | |
| SCHEMBL22329002 | 0.75 | — | — | |
| SCHEMBL21170360 | 0.75 | — | — | |
| SCHEMBL5487352 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20210308162-A1 | NOVEL TLR4 INHIBITORS FOR THE TREATMENT OF HUMAN INFECTIOUS AND INFLAMMATORY DISORDERS | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2021-10-07 | — | — | US | disclosed |
| WO-2021068950-A1 | AMIDE COMPOUND AND MEDICAL USE THEREOF AS STING INHIBITOR | 中国药科大学 | 2021-04-15 | — | — | WO | disclosed |
| US-10933077-B2 | TLR4 inhibitors for the treatment of human infectious and inflammatory disorders | University of Pittsburgh—of the Commonwealth System of Higher Education (US) | 2021-03-02 | — | — | US | disclosed |
| WO-2017173999-A1 | PYRAZOLE-OXAZOLIDINONE COMPOUND FOR ANTI-HEPATITIS B VIRUS | 陈焕明 | 2017-10-12 | — | — | WO | disclosed |
| EP-2401392-B1 | SOLUTION PHASE HOMOGENEOUS ASSAYS | BECKMAN COULTER INC (US) | 2017-01-25 | — | — | EP | disclosed |
| WO-2016073889-A1 | SUBSTITUTED IMIDAZO[1,5-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | LYSOSOMAL THERAPEUTICS INC. (US) | 2016-05-12 | — | — | WO | disclosed |
| US-20070032653-A1 | N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. | SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) | 2007-02-08 | — | — | US | disclosed |