⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28923200 | 0.84 | — | — | |
| SCHEMBL19113262 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL5555393 | 0.78 | — | — | |
| SCHEMBL823000 | 0.74 | — | — | |
| SCHEMBL17666264 | 0.72 | NLRP3 (0.33) | — | |
| SCHEMBL20483089 | 0.72 | — | — | |
| SCHEMBL16294338 | 0.72 | — | — | |
| SCHEMBL9284273 | 0.72 | — | — | |
| SCHEMBL16295146 | 0.72 | — | — | |
| SCHEMBL14760533 | 0.71 | DUT (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1180035-A4 | NON-CALCEMIC, ANTIPROLIFERATIVE, TRANSCRIPTIONALLY ACTIVE SULFUR-CONTAINING ANALOGS OF 1$g(a), 25-DIHYDROXY VITAMIN D 3? | UNIV JOHNS HOPKINS (US) | 2003-07-30 | — | — | EP | disclosed |
| EP-1180035-A1 | NON-CALCEMIC, ANTIPROLIFERATIVE, TRANSCRIPTIONALLY ACTIVE SULFUR-CONTAINING ANALOGS OF 1$g(a), 25-DIHYDROXY VITAMIN D 3? | JOHNS HOPKINS UNIVERSITY (US) | 2002-02-20 | — | — | EP | disclosed |
| WO-2000059513-A1 | NON-CALCEMIC, ANTIPROLIFERATIVE, TRANSCRIPTIONALLY ACTIVE SULFUR-CONTAINING ANALOGS OF 1α, 25-DIHYDROXY VITAMIN D¿3? | JOHNS HOPKINS UNIVERSITY (US) | 2000-10-12 | — | — | WO | disclosed |