⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5164545 | 0.92 | — | — | |
| SCHEMBL5164389 | 0.81 | — | — | |
| SCHEMBL7754449 | 0.79 | THRB (0.37) | — | |
| SCHEMBL12506352 | 0.77 | THRB (0.42) | — | |
| SCHEMBL703814 | 0.76 | ADRB2 (0.41) | — | |
| SCHEMBL30895949 | 0.75 | TSHR (0.44) | — | |
| SCHEMBL28062817 | 0.75 | ADRB2 (0.32) | — | |
| SCHEMBL5936772 | 0.74 | — | — | |
| SCHEMBL7807678 | 0.74 | TSHR (0.35) | — | |
| SCHEMBL9201194 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1419143-B1 | 24-SULFUR-SUBSTITUTED ANALOGS OF 1ALPHA,25-DIHYDROXY VITAMIN D3 | UNIV JOHNS HOPKINS (US) | 2009-04-15 | — | — | EP | disclosed |
| US-7166585-B2 | 24-Sulfur-substituted analogs of 1α,25-dihydroxy vitamin D3 | CYTOCHROMA INC. (CA) | 2007-01-23 | — | — | US | disclosed |
| US-20040132695-A1 | 24-Sulfur-substituted analogs of 1 alpha, 25-dihydroxy vitamin D3 | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-07-08 | — | — | US | disclosed |
| EP-1419143-A1 | 24-SULFUR-SUBSTITUTED ANALOGS OF 1ALPHA,25-DIHYDROXY VITAMIN D3 | JOHNS HOPKINS UNIVERSITY (US) | 2004-05-19 | — | — | EP | disclosed |
| US-20030149005-A1 | 24-sulfur-substituted analogs of 1alpha, 25-dihydroxy vitamin D3 | Opko IP Holdings II, Inc. (KY) | 2003-08-07 | — | — | US | disclosed |
| WO-2003018545-A1 | 24-SULFUR-SUBSTITUTED ANALOGS OF 1Α,25-DIHYDROXY VITAMIN D¿3? | JOHNS HOPKINS UNIVERSITY (US) | 2003-03-06 | — | — | WO | disclosed |