⚠ 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 | |
|---|---|---|---|---|
| Nitroethane SCHEMBL35035 | 0.92 | — | — | |
| Nitroethane SCHEMBL1332217 | 0.92 | — | — | |
| Nitroethane SCHEMBL27939198 | 0.88 | — | — | |
| Nitroethane SCHEMBL27781345 | 0.88 | — | — | |
| Nitroethane SCHEMBL7774447 | 0.88 | — | — | |
| Nitroethane SCHEMBL29866506 | 0.88 | — | — | |
| Nitroethane SCHEMBL8493482 | 0.85 | TSHR (0.61) | — | |
| Nitroethane SCHEMBL1011599 | 0.85 | — | — | |
| Nitroethane SCHEMBL679288 | 0.85 | TSHR (0.85) | — | |
| Nitroethane SCHEMBL11203492 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1126768-C | Reactive diluents for acid curable phenolic compositions | BORDEN CHEM INC (US) | 2003-11-05 | — | — | CN | disclosed |