Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
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.
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 | 1.00 | MEN1 (0.38) | — | |
| Nitroacetic Acid SCHEMBL19995634 | 0.94 | CA4 (0.42) | — | |
| Nitroacetic Acid SCHEMBL6546218 | 0.94 | — | — | |
| Nitroacetic Acid SCHEMBL11879474 | 0.94 | — | — | |
| Nitroacetic Acid SCHEMBL5933854 | 0.94 | — | — | |
| Nitroacetic Acid SCHEMBL30721731 | 0.94 | MEN1 (0.38) | — | |
| Nitroacetic Acid SCHEMBL13859133 | 0.94 | MEN1 (0.38) | — | |
| Nitroacetic Acid SCHEMBL5933850 | 0.94 | MEN1 (0.38) | — | |
| Nitroacetic Acid SCHEMBL7532507 | 0.86 | CA1 (0.47) | — | |
| Nitroacetic Acid SCHEMBL11355336 | 0.86 | CA1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4116860-A | Regenerant composition and method for regeneration of weak acid cation exchange resin | ROHM AND HAAS COMPANY (US) | 1978-09-26 | — | — | US | disclosed |
| US-4071446-A | Method for regeneration of weak acid cation exchange resin | ROHM AND HAAS COMPANY (US) | 1978-01-31 | — | — | US | disclosed |