Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Nitroacetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Nitroacetic Acid SCHEMBL11626509 | 0.94 | MEN1 (0.38) | — | |
| Nitroacetic Acid SCHEMBL6546218 | 0.94 | — | — | |
| Nitroacetic Acid SCHEMBL13859133 | 0.94 | MEN1 (0.38) | — | |
| Nitroacetic Acid SCHEMBL11577983 | 0.94 | — | — | |
| Nitroacetic Acid SCHEMBL5933850 | 0.94 | MEN1 (0.38) | — | |
| Nitroacetic Acid SCHEMBL5933854 | 0.94 | — | — | |
| Nitroacetic Acid SCHEMBL30721731 | 0.94 | MEN1 (0.38) | — | |
| Nitroacetic Acid SCHEMBL19995634 | 0.94 | CA4 (0.42) | — | |
| Nitroacetic Acid SCHEMBL11355336 | 0.86 | CA1 (0.42) | — | |
| Nitroacetic Acid SCHEMBL7532507 | 0.86 | CA1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-3981916-A | Reduction of nitroparaffin substrates to their corresponding oximes using a silver salt catalyst | TEXACO INC. (US) | 1976-09-21 | — | — | US | disclosed |