⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3684453 | 0.90 | CRBN (0.48) | — | |
| SCHEMBL29507615 | 0.90 | CRBN (0.48) | — | |
| SCHEMBL5969803 | 0.83 | — | — | |
| SCHEMBL175406 | 0.83 | — | — | |
| SCHEMBL2794651 | 0.76 | — | — | |
| SCHEMBL540663 | 0.74 | — | — | |
| Fluoride SCHEMBL29583107 | 0.74 | — | — | |
| SCHEMBL8213764 | 0.73 | TRIM24 (0.44) | — | |
| SCHEMBL30172765 | 0.73 | TRIM24 (0.39) | — | |
| SCHEMBL28066549 | 0.72 | OR51E2 (0.41) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2723723-B1 | N-OXY PYRAZOLO-TRIAZEPINE-DIONE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2017-02-01 | — | — | EP | disclosed |
| US-9282743-B2 | Chemical compounds | SYNGENTA PARTICIPATIONS AG (CH) | 2016-03-15 | — | — | US | disclosed |
| US-20140148339-A1 | CHEMICAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2014-05-29 | — | — | US | disclosed |
| EP-2723723-A1 | N-OXY PYRAZOLO-TRIAZEPINE-DIONE DERIVATIVES | Syngenta Participations AG (CH) | 2014-04-30 | — | — | EP | disclosed |
| WO-2012175666-A1 | N-OXY PYRAZOLO-TRIAZEPINE-DIONE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-12-27 | — | — | WO | disclosed |
| US-7649015-B2 | Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds | GILEAD SCIENCES, INC. (US) | 2010-01-19 | — | — | US | disclosed |
| US-20070010489-A1 | Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds | GILEAD SCIENCES, INC. | 2007-01-11 | — | — | US | disclosed |
| US-20050209197-A1 | Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds | GILEAD SCIENCES, INC. | 2005-09-22 | — | — | US | disclosed |
| EP-1509537-A2 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES, INC. (US) | 2005-03-02 | — | — | EP | disclosed |
| WO-2003090690-A2 | CELLULAR ACCUMULATION OF PHOSPHONATE ANALOGS OF HIV PROTEASE INHIBITOR COMPOUNDS AND THE COMPOUNDS AS SUCH | GILEAD SCIENCES, INC. (US) | 2003-11-06 | — | — | WO | disclosed |
| US-4404379-A | REACTING A 2 RING-NITROGEN-CONTAINING HETEROCYCLIC COMPOUND WITH A POLYISOCYANATE; STORAGE STABILITY; POLYMERIC HARDENERS | BAYER AKTIENGESELLSCHAFT (DE) | 1983-09-13 | — | — | US | disclosed |