⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1470239 | 0.75 | — | — | |
| SCHEMBL2148543 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL4724582 | 0.72 | — | — | |
| SCHEMBL5636823 | 0.72 | — | — | |
| SCHEMBL198279 | 0.72 | — | — | |
| SCHEMBL1100526 | 0.69 | — | — | |
| SCHEMBL2017081 | 0.69 | — | — | |
| SCHEMBL28629121 | 0.69 | — | — | |
| SCHEMBL11392993 | 0.69 | — | — | |
| SCHEMBL28396423 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101472868-B | Process for separating and purifying hydroquinone from crude mixtures | RHODIA OPERATIONS | 2013-03-20 | — | — | CN | disclosed |
| CN-101472868-A | Process for separating and purifying hydroquinone from crude mixtures | RHODIA OPERATIONS (FR) | 2009-07-01 | — | — | CN | disclosed |
| EP-0102510-A1 | Substituted 4-fluoropyridaz-6-ones | BASF Aktiengesellschaft (DE) | 1984-03-14 | — | — | EP | disclosed |