⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17540792 | 1.00 | — | — | |
| SCHEMBL33742 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL2368198 | 0.93 | BBOX1 (0.43) | — | |
| Iodide SCHEMBL2173986 | 0.93 | BBOX1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL20731 | 0.93 | BBOX1 (0.43) | — | |
| Fluoride Ion SCHEMBL7939983 | 0.93 | BBOX1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL4587394 | 0.93 | BBOX1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL4587004 | 0.93 | BBOX1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL7744315 | 0.93 | BBOX1 (0.43) | — | |
| Iodide SCHEMBL17105789 | 0.93 | BBOX1 (0.43) | — |
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-0570404-A1 | AGGLOMERATED POLYMER PARTICLES PRODUCED FROM FINELY DIVIDED WATER-SOLUBLE OR WATER-SWELLABLE POLYMERISATES. | BASF AG (DE) | 1993-11-24 | — | — | EP | disclosed |