⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7860948 | 0.83 | — | — | |
| SCHEMBL18316486 | 0.71 | — | — | |
| SCHEMBL10456858 | 0.71 | — | — | |
| SCHEMBL4462509 | 0.70 | — | — | |
| SCHEMBL787114 | 0.69 | — | — | |
| SCHEMBL3938511 | 0.68 | — | — | |
| SCHEMBL3825681 | 0.67 | — | — | |
| SCHEMBL19433847 | 0.66 | — | — | |
| SCHEMBL10456852 | 0.66 | — | — | |
| SCHEMBL5550677 | 0.66 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2000219656-A | ISOLATION AND PURIFICATION OF 3-NITRO-ORTHO-TOLUIC ACID | SAN CHEM KK | 2000-08-08 | — | — | JP | disclosed |