⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2717876 | 0.78 | — | — | |
| SCHEMBL7768283 | 0.76 | — | — | |
| SCHEMBL7675023 | 0.73 | — | — | |
| SCHEMBL541997 | 0.73 | — | — | |
| SCHEMBL1608778 | 0.72 | — | — | |
| SCHEMBL31375740 | 0.72 | — | — | |
| SCHEMBL31692119 | 0.72 | — | — | |
| SCHEMBL28010220 | 0.72 | — | — | |
| SCHEMBL31375744 | 0.72 | — | — | |
| SCHEMBL27799041 | 0.69 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5869740-A | Herbicide intermediates | ZENECA LIMITED (GB) | 1999-02-09 | — | — | US | disclosed |
| US-5659074-A | Herbicide intermediates | ZENECA LIMITED (GB) | 1997-08-19 | — | — | US | disclosed |
| EP-0434739-B1 | PROCESS FOR THE PREPARATION OF 4-SULFO-2-CHLOROBENZOIC ACID | SOLVAY INTEROX LTD (GB) | 1995-03-29 | — | — | EP | disclosed |
| US-5139628-A | Selectively brominating 2-chloro-4-toluenesulfonic acid in anhydrous solvent with bromine dissociated by radiation, extracting into aqueous phase, hydrolyzing, oxidizing with percarboxylic acid or bromine | INTEROX CHEMICALS LIMITED (GB) | 1992-08-18 | — | — | US | disclosed |
| EP-0434739-A1 | PROCESS FOR THE PREPARATION OF 4-SULFO-2-CHLOROBENZOIC ACID. | INTEROX CHEMICALS LTD (GB) | 1991-07-03 | — | — | EP | disclosed |
| WO-1990005717-A1 | PREPARATION OF 2-CHLORO-4-TOLUENESULFONIC ACID | ICI AMERICAS INC. (US) | 1990-05-31 | — | — | WO | disclosed |
| WO-1990002731-A1 | PROCESS FOR THE PREPARATION OF 4-SULFO-2-CHLOROBENZOIC ACID | INTEROX CHEMICALS LIMITED (GB) | 1990-03-22 | — | — | WO | disclosed |