⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10361899 | 0.81 | — | — | |
| SCHEMBL10361925 | 0.78 | — | — | |
| SCHEMBL10772465 | 0.76 | — | — | |
| SCHEMBL79695 | 0.71 | CCNB2 (0.31) | — | |
| SCHEMBL2118504 | 0.71 | — | — | |
| SCHEMBL9181490 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL83209 | 0.69 | — | — | |
| SCHEMBL5673702 | 0.69 | — | — | |
| SCHEMBL10711472 | 0.67 | ALDH1A1 (0.44) | — | |
| SCHEMBL10361857 | 0.67 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0272532-B1 | DYESTUFFS | BAYER AG (DE) | 1991-05-29 | — | — | EP | disclosed |
| EP-0235729-B1 | REACTIVE DYES | BAYER AG (DE) | 1990-12-19 | — | — | EP | disclosed |
| EP-0272532-A2 | Dyestuffs | BAYER AG (DE) | 1988-06-29 | — | — | EP | disclosed |
| US-4716229-A | New pyrimidines and a process for the preparation of pyrimidines | BAYER AKTIENGESELLSCHAFT (DE) | 1987-12-29 | — | — | US | disclosed |
| EP-0133663-B1 | PYRIMIDINES AND A PROCESS FOR THE PREPARATION OF PYRIMIDINES | BAYER AG (DE) | 1987-04-08 | — | — | EP | disclosed |
| EP-0125650-B1 | REACTIVE DYES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE DYEING AND PRINTING OF SUBSTRATES | BAYER AG (DE) | 1987-04-01 | — | — | EP | disclosed |
| EP-0183092-A1 | 5,6-Dichloro-4-hydroxy-2-trichloromethylpyrimidine | BAYER AG (DE) | 1986-06-04 | — | — | EP | disclosed |
| EP-0151939-A2 | Pyrimidinediones and dihydroxypyrimidines, and process for the preparation of pyrimidinedones and dihydroxypyrimidines | BAYER AG (DE) | 1985-08-21 | — | — | EP | disclosed |
| EP-0139248-A2 | Reactive dyes | BAYER AG (DE) | 1985-05-02 | — | — | EP | disclosed |
| EP-0133663-A1 | Pyrimidines and a process for the preparation of pyrimidines | BAYER AG (DE) | 1985-03-06 | — | — | EP | disclosed |
| EP-0125650-A2 | Reactive dyes, process for their preparation and their use in the dyeing and printing of substrates | BAYER AG (DE) | 1984-11-21 | — | — | EP | disclosed |