⚠ 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 SCHEMBL8172071 | 0.95 | ALDH1A1 (0.32) | — | |
| SCHEMBL1537313 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL20262671 | 0.74 | — | — | |
| SCHEMBL861538 | 0.74 | — | — | |
| SCHEMBL482726 | 0.74 | — | — | |
| SCHEMBL3383717 | 0.65 | — | — | |
| SCHEMBL7569146 | 0.65 | — | — | |
| SCHEMBL10950458 | 0.64 | — | — | |
| SCHEMBL236908 | 0.63 | — | — | |
| SCHEMBL3419249 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1596193-B1 | Novel stationary phases for use in high-performance liquid chromatography | AGILENT TECHNOLOGIES INC (US) | 2007-06-20 | — | — | EP | disclosed |
| US-20060076296-A1 | Novel stationary phases for use in high-performance liquid chromatography | AGILENT TECHNOLOGIES, INC. | 2006-04-13 | — | — | US | disclosed |
| EP-1596193-A1 | Novel stationary phases for use in high-performance liquid chromatography | Agilent Technologies, Inc. (US) | 2005-11-16 | — | — | EP | disclosed |