⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL189693 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL283187 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL23531965 | 0.86 | — | — | |
| Hydroxyamine SCHEMBL8015019 | 0.86 | — | — | |
| Propane SCHEMBL28577487 | 0.82 | — | — | |
| Bicarbonate SCHEMBL28549988 | 0.79 | TSHR (0.41) | — | |
| Acetic Acid SCHEMBL7862250 | 0.73 | FFAR3 (0.47) | — | |
| SCHEMBL122036 | 0.70 | — | — | |
| SCHEMBL1503296 | 0.70 | — | — | |
| SCHEMBL8214060 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1047688-A1 | THIOPHENE NITRONE COMPOUNDS | CENTAUR PHARMACEUTICALS, INC. (US) | 2000-11-02 | — | — | EP | disclosed |
| EP-1025079-A1 | $g(a)-ARYL-$i(N)-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | CENTAUR PHARMACEUTICALS, INC. (US) | 2000-08-09 | — | — | EP | disclosed |
| WO-1999036420-A1 | THIOPHENE NITRONE COMPOUNDS | CENTAUR PHARMACEUTICALS, INC. (US) | 1999-07-22 | — | — | WO | disclosed |
| WO-1999020601-A1 | α-ARYL-N-ALKYLNITRONES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME | CENTAUR PHARMACEUTICALS, INC. (US) | 1999-04-29 | — | — | WO | disclosed |