⚠ 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 | |
|---|---|---|---|---|
| Sulfurous Acid SCHEMBL8746239 | 0.88 | TSHR (0.32) | — | |
| SCHEMBL907639 | 0.80 | — | — | |
| SCHEMBL9188538 | 0.80 | — | — | |
| SCHEMBL8389 | 0.80 | — | — | |
| SCHEMBL3086752 | 0.80 | — | — | |
| SCHEMBL25302485 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL232631 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL3086623 | 0.77 | — | — | |
| Ammonia Solution, Strong SCHEMBL5609160 | 0.77 | — | — | |
| SCHEMBL25255331 | 0.77 | TSHR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5344949-A | Quaternary ammonium sulfonates from organoammonium hydrogen sulfite and epoxy compounds or organosilicon epoxy compounds | TH. GOLDSCHMIDT AG (DE) | 1994-09-06 | — | — | US | disclosed |