⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL11395813 | 0.98 | — | — | |
| Iodide SCHEMBL11381556 | 0.81 | — | — | |
| Bromide SCHEMBL9299877 | 0.81 | HSP90AA1 (0.31) | — | |
| SCHEMBL18035807 | 0.79 | CHRM2 (0.35) | — | |
| SCHEMBL6557911 | 0.78 | CHRM2 (0.38) | — | |
| Hydrochloric Acid SCHEMBL3479352 | 0.78 | KMT2A (0.37) | — | |
| SCHEMBL9657673 | 0.77 | CYP2C19 (0.31) | — | |
| Bromide SCHEMBL1548089 | 0.75 | RAD52 (0.43) | — | |
| Hydrochloric Acid SCHEMBL15777660 | 0.71 | EPHX1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL27228229 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1825057-B1 | RETENTION AND DRAINAGE AIDS | SOLENIS TECHNOLOGIES CAYMAN LP (CH) | 2015-04-22 | — | — | EP | claimed |