⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL2800692 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL10739479 | 0.97 | — | — | |
| Water SCHEMBL2152723 | 0.97 | — | — | |
| SCHEMBL15222 | 0.97 | — | — | |
| SCHEMBL7533725 | 0.97 | ALDH1A1 (0.31) | — | |
| SCHEMBL13621673 | 0.97 | — | — | |
| SCHEMBL9517518 | 0.94 | — | — | |
| Hydrogen Sulfide SCHEMBL22127086 | 0.94 | — | — | |
| SCHEMBL8342097 | 0.94 | — | — | |
| SCHEMBL2943300 | 0.94 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6811597-B2 | A PIPERIDINE OR PYRROLIDINE N-OXIDE AND A HYDRAZIDE | SEIKO EPSON CORPORATION (JP) | 2004-11-02 | — | — | US | disclosed |
| US-20040085421-A1 | Ink composition, recording medium, inkjet recording method and recording | SEIKO EPSON CORPORATION | 2004-05-06 | — | — | US | disclosed |
| US-20040011249-A1 | Ink composition, recording medium, inkjet recording method, and recording | SEIKO EPSON CORPORATION | 2004-01-22 | — | — | US | disclosed |
| US-20020185036-A1 | Ink composition, recording medium, inkjet recording method, and recording | SEIKO EPSON CORPORATION | 2002-12-12 | — | — | US | disclosed |