⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5618259 | 0.83 | — | — | |
| SCHEMBL231303 | 0.78 | — | — | |
| SCHEMBL832085 | 0.78 | — | — | |
| SCHEMBL4883926 | 0.75 | HIF1A (0.41) | — | |
| SCHEMBL24498355 | 0.74 | — | — | |
| SCHEMBL1784414 | 0.74 | HIF1A (0.45) | — | |
| SCHEMBL93310 | 0.74 | — | — | |
| SCHEMBL8711359 | 0.74 | — | — | |
| SCHEMBL7221884 | 0.74 | — | — | |
| SCHEMBL3408019 | 0.74 | HIF1A (0.45) | — |
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-105111356-B | Macromolecule antibacterial agent used for water-based ecological synthetic leather and preparation method thereof | 四川大学 | 2017-04-12 | — | — | CN | disclosed |
| US-8853455-B2 | Process for preparing substituted 2-nitrobiphenyls | BASF SE (DE) | 2014-10-07 | — | — | US | disclosed |
| EP-2406210-A1 | PROCESS FOR PREPARING SUBSTITUTED 2-NITROBIPHENYLS | BASF SE (DE) | 2012-01-18 | — | — | EP | disclosed |
| US-20110319665-A1 | Process for Preparing Substituted 2-Nitrobiphenyls | BASF SE (DE) | 2011-12-29 | — | — | US | disclosed |
| WO-2010102980-A1 | PROCESS FOR PREPARING SUBSTITUTED 2-NITROBIPHENYLS | BASF SE (DE) | 2010-09-16 | — | — | WO | disclosed |