⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11544232 | 0.69 | MAPT (0.37) | — | |
| SCHEMBL4394267 | 0.65 | — | — | |
| SCHEMBL8900194 | 0.60 | — | — | |
| SCHEMBL2286878 | 0.60 | — | — | |
| Iodide SCHEMBL11637460 | 0.58 | — | — | |
| SCHEMBL9453880 | 0.55 | — | — | |
| SCHEMBL31494129 | 0.48 | — | — | |
| SCHEMBL15338661 | 0.41 | — | — | |
| SCHEMBL452580 | 0.34 | — | — | |
| SCHEMBL324870 | 0.34 | — | — |
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-0252490-B1 | 3-ALPHA-HYDROXYSTEROID OXIDASE AND QUANTITATIVE ANALYSIS OF 3-ALPHA-HYDROXYSTEROID MAKING USE OF SAME | DAIICHI PURE CHEMICALS CO. LTD. (JP) | 1993-01-20 | — | — | EP | claimed |
| EP-0025227-A2 | Precursor indicator compositions | MILES LABORATORIES, INC. (US) | 1981-03-18 | — | — | EP | disclosed |