⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2096958 | 0.72 | — | — | |
| SCHEMBL66347 | 0.67 | — | — | |
| SCHEMBL2834719 | 0.67 | — | — | |
| SCHEMBL1577075 | 0.67 | — | — | |
| SCHEMBL1268861 | 0.64 | — | — | |
| SCHEMBL28771937 | 0.64 | — | — | |
| SCHEMBL9841058 | 0.64 | — | — | |
| Nitroethane SCHEMBL35035 | 0.64 | — | — | |
| SCHEMBL1577076 | 0.64 | — | — | |
| SCHEMBL10716869 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0206995-B1 | N-HETEROCYCLO-SULFONYL-N'-PYRIMIDINYL, N'-TRIAZOLYL AND N'-TRIAZINYL UREAS | CIBA-GEIGY AG (CH) | 1990-01-24 | — | — | EP | claimed |
| EP-0340010-B1 | Heterocyclic nitromethane derivatives | ICI PLC (GB) | 1994-08-24 | — | — | EP | disclosed |
| US-5102905-A | For treating side effects of diabetes and galactosemia | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-04-07 | — | — | US | disclosed |
| CN-1037339-A | Heterogeneous ring compound | ICI PLC (GB) | 1989-11-22 | — | — | CN | disclosed |
| EP-0340010-A2 | Heterocyclic nitromethane derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-11-02 | — | — | EP | disclosed |