⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14864991 | 0.82 | — | — | |
| SCHEMBL7314602 | 0.80 | ALPL (0.36) | — | |
| Hydrochloric Acid SCHEMBL30155444 | 0.78 | ALPL (0.34) | — | |
| SCHEMBL15996731 | 0.74 | — | — | |
| SCHEMBL4779310 | 0.71 | ALPL (0.33) | — | |
| SCHEMBL27931030 | 0.68 | HSD17B10 (0.39) | — | |
| SCHEMBL21619826 | 0.68 | — | — | |
| SCHEMBL14102757 | 0.66 | — | — | |
| SCHEMBL14102758 | 0.66 | — | — | |
| SCHEMBL27795217 | 0.65 | GAA (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1961744-A1 | BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-08-27 | — | — | EP | disclosed |
| EP-1942108-A1 | COMPOUND CONTAINING BASIC GROUP AND USE THEREOF | ONO PHARMACEUTICAL CO., LTD. (JP) | 2008-07-09 | — | — | EP | disclosed |