⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10696201 | 0.79 | — | — | |
| SCHEMBL24152396 | 0.72 | MEN1 (0.34) | — | |
| SCHEMBL11131282 | 0.70 | — | — | |
| SCHEMBL20575647 | 0.67 | — | — | |
| SCHEMBL1162292 | 0.67 | — | — | |
| SCHEMBL21327044 | 0.65 | CCR1 (0.30) | — | |
| SCHEMBL21847299 | 0.64 | AGBL2 (0.32) | — | |
| SCHEMBL30971455 | 0.64 | — | — | |
| SCHEMBL24590745 | 0.64 | CCR1 (0.48) | — | |
| SCHEMBL338632 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0065480-B1 | HALOGENOPYRIMIDINES CONTAINING A SIDE CHAIN, MONOFLUORINATED ON THE PYRIMIDINE NUCLEUS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE PREPARATION OF REACTIVE DYES | BAYER AG (DE) | 1984-11-14 | — | — | EP | disclosed |
| EP-0065480-A1 | Halogenopyrimidines containing a side chain, monofluorinated on the pyrimidine nucleus, process for their preparation and their use in the preparation of reactive dyes | BAYER AG (DE) | 1982-11-24 | — | — | EP | disclosed |