⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL182368 | 0.78 | — | — | |
| Fluoride SCHEMBL2590705 | 0.74 | — | — | |
| SCHEMBL24459 | 0.69 | — | — | |
| SCHEMBL8336151 | 0.67 | — | — | |
| SCHEMBL1586293 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL546609 | 0.65 | — | — | |
| Bromide SCHEMBL7178493 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL237157 | 0.65 | — | — | |
| SCHEMBL21385109 | 0.65 | — | — | |
| Fluoride SCHEMBL498862 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0074928-A2 | Reactive dyestuffs, their preparation and their use | CIBA-GEIGY AG (CH) | 1983-03-23 | — | — | EP | disclosed |