⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9914203 | 1.00 | — | — | |
| SCHEMBL220893 | 1.00 | — | — | |
| SCHEMBL7977062 | 0.83 | — | — | |
| SCHEMBL13336440 | 0.79 | TRPA1 (0.32) | — | |
| SCHEMBL1109751 | 0.79 | TRPA1 (0.32) | — | |
| SCHEMBL7636684 | 0.79 | TRPA1 (0.32) | — | |
| SCHEMBL4914856 | 0.78 | TRPA1 (0.34) | — | |
| SCHEMBL6408747 | 0.77 | CYP3A4 (0.40) | — | |
| SCHEMBL21694690 | 0.76 | TRPA1 (0.33) | — | |
| SCHEMBL1883811 | 0.75 | TRPA1 (0.60) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104106162-B | Active material for negative electrode of nonaqueous secondary battery, negative electrode using same, and nonaqueous secondary battery | 三菱化学株式会社 | 2017-09-01 | — | — | CN | disclosed |
| CN-102725292-A | Imidazopyridine compounds as novel constructs for multi-target kinase inhibition | ABBOTT LAB | 2012-10-10 | — | — | CN | disclosed |
| US-8198311-B2 | Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-06-12 | — | — | US | disclosed |
| US-20100075961-A1 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2010-03-25 | — | — | US | disclosed |
| WO-2008057857-A1 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-&kappav;B ACTIVITY AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-15 | — | — | WO | disclosed |