⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2930375 | 0.79 | — | — | |
| SCHEMBL26217 | 0.76 | — | — | |
| SCHEMBL7165464 | 0.76 | — | — | |
| SCHEMBL8743211 | 0.75 | TSHR (0.37) | — | |
| Ethylene SCHEMBL8621311 | 0.74 | TSHR (0.50) | — | |
| Methane SCHEMBL9845065 | 0.74 | TSHR (0.50) | — | |
| Formaldehyde SCHEMBL16146046 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL3284715 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL3869785 | 0.73 | — | — | |
| SCHEMBL2931525 | 0.72 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0081157-B1 | PROCESS FOR THE PREPARATION OF N-NITROARYL-NITROARYL CARBOXAMIDES | BAYER AG (DE) | 1985-01-02 | — | — | EP | disclosed |
| EP-0081157-A1 | Process for the preparation of N-nitroaryl-nitroaryl carboxamides | BAYER AG (DE) | 1983-06-15 | — | — | EP | disclosed |