⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL234587 | 0.93 | — | — | |
| SCHEMBL31137801 | 0.76 | ADRB2 (0.45) | — | |
| Hydrochloric Acid SCHEMBL234590 | 0.73 | ADRB2 (0.43) | — | |
| Bromide SCHEMBL7110716 | 0.73 | ADRB2 (0.43) | — | |
| Iodide SCHEMBL9485433 | 0.73 | ADRB2 (0.43) | — | |
| Hydrochloric Acid SCHEMBL11127961 | 0.71 | CA1 (0.42) | — | |
| Fluoride Ion SCHEMBL7109803 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL10581327 | 0.69 | TSHR (0.45) | — | |
| Bromide SCHEMBL5181055 | 0.69 | TSHR (0.44) | — | |
| Hydrochloric Acid SCHEMBL8190290 | 0.69 | TSHR (0.45) | — |
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-0834514-B1 | Process for synthesizing metallocene compounds | KANTO KAGAKU (JP) | 2003-10-22 | — | — | EP | disclosed |