⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27842376 | 0.74 | — | — | |
| SCHEMBL28077295 | 0.73 | — | — | |
| SCHEMBL10999068 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL27762322 | 0.71 | — | — | |
| SCHEMBL27666729 | 0.71 | — | — | |
| SCHEMBL31383402 | 0.70 | — | — | |
| SCHEMBL4344895 | 0.70 | — | — | |
| SCHEMBL28896735 | 0.70 | — | — | |
| SCHEMBL8844336 | 0.69 | — | — | |
| Water SCHEMBL10730329 | 0.68 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-86105522-B | Synthetic method of water-soluble dye containing cyano | 大连工学院 | 1988-03-23 | — | — | CN | claimed |
| CN-86105522-A | The water-soluble dye synthetic method of kind of cyanic | — | 1988-02-24 | — | — | CN | claimed |
| EP-0101806-B1 | PROCESS FOR PREPARING 2-AMINO-BENZENE SULPHONIC ACIDS | BAYER AG (DE) | 1986-08-06 | — | — | EP | claimed |
| US-4548761-A | HYDROLYSIS AND OXIDATION OF BENOTHIAZOLE DERIVATIVES | BAYER AKTIENGESELLSCHAFT (DE) | 1985-10-22 | — | — | US | claimed |
| EP-0641838-B1 | Reactive dye-stuffs on basis of a substituted barbituric acid | BAYER AG (DE) | 1999-11-10 | — | — | EP | disclosed |
| US-5502174-A | Reactive dyestuffs based on a substituted barbituric acid | BAYER AKTIENGESELLSCHAFT (DE) | 1996-03-26 | — | — | US | disclosed |
| EP-0641838-A1 | Reactive dye-stuffs on basis of a substituted barbituric acid | BAYER AG (DE) | 1995-03-08 | — | — | EP | disclosed |
| EP-0511018-A1 | Electrophotographic photoreceptor | MITSUBISHI KASEI CORPORATION (JP) | 1992-10-28 | — | — | EP | disclosed |
| CN-86105522-B | Synthetic method of water-soluble dye containing cyano | 大连工学院 | 1988-03-23 | — | — | CN | disclosed |
| CN-86105522-A | The water-soluble dye synthetic method of kind of cyanic | — | 1988-02-24 | — | — | CN | disclosed |