⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4879869 | 0.77 | — | — | |
| SCHEMBL4399070 | 0.77 | — | — | |
| SCHEMBL10077299 | 0.72 | — | — | |
| SCHEMBL12338364 | 0.72 | — | — | |
| SCHEMBL27510089 | 0.72 | — | — | |
| SCHEMBL9614870 | 0.70 | — | — | |
| SCHEMBL19049167 | 0.67 | — | — | |
| SCHEMBL4206689 | 0.65 | — | — | |
| SCHEMBL1638012 | 0.63 | — | — | |
| SCHEMBL168677 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8703992-B2 | Method for producing aromatic and heteroaromatic carboxylic acids, carboxylic acid esters and carboxylic acid amides | BASF SE (DE) | 2014-04-22 | — | — | US | disclosed |
| US-20110172456-A1 | Method for Producing Aromatic and Heteroaromatic Carboxylic Acids, Carboxylic Acid Esters and Carboxylic Acid Amides | BASF SE (DE) | 2011-07-14 | — | — | US | disclosed |