⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14720915 | 0.76 | ALOX5 (0.31) | — | |
| SCHEMBL2951376 | 0.74 | PDE4A (0.42) | — | |
| Methyl Alcohol SCHEMBL104213 | 0.70 | — | — | |
| SCHEMBL20532 | 0.69 | — | — | |
| SCHEMBL6954520 | 0.69 | — | — | |
| SCHEMBL9686004 | 0.68 | TRIM24 (0.48) | — | |
| SCHEMBL21961599 | 0.68 | — | — | |
| SCHEMBL112370 | 0.67 | CA1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL1162671 | 0.67 | — | — | |
| SCHEMBL21237759 | 0.67 | CA1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013027001-A1 | COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-02-28 | — | — | WO | disclosed |