⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13298275 | 1.00 | — | — | |
| SCHEMBL164190 | 1.00 | — | — | |
| SCHEMBL5115794 | 0.79 | — | — | |
| SCHEMBL5115791 | 0.79 | — | — | |
| SCHEMBL1168602 | 0.77 | — | — | |
| SCHEMBL1168598 | 0.77 | — | — | |
| SCHEMBL13661558 | 0.77 | — | — | |
| SCHEMBL18776190 | 0.75 | — | — | |
| SCHEMBL12749668 | 0.75 | — | — | |
| SCHEMBL14751235 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170114013-A1 | LOW CALCEMIC, HIGHLY ANTIPROLIFERATIVE, ANALOGS OF CALCITRIOL | NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR | 2017-04-27 | — | — | US | disclosed |
| US-9481646-B2 | Low calcemic, highly antiproliferative, analogs of calcitriol | THE JOHNS HOPKINS UNIVERSITY (US) | 2016-11-01 | — | — | US | disclosed |
| WO-2012029968-A1 | BENZAMIDE DERIVATIVE OR ITS SALT, AND INSECTICIDE, MITICIDE, NEMATICIDE OR SOIL PESTICIDE CONTAINING IT | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2012-03-08 | — | — | WO | disclosed |
| US-20100137262-A1 | Low Calcemic, Highly Antiproliferative, Analogs of Calcitriol | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2010-06-03 | — | — | US | disclosed |