⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17773649 | 0.85 | ALDH1A1 (0.31) | — | |
| SCHEMBL15633188 | 0.83 | PTGS2 (0.36) | — | |
| SCHEMBL29403057 | 0.83 | PTGS2 (0.36) | — | |
| SCHEMBL15633519 | 0.81 | — | — | |
| SCHEMBL17151122 | 0.77 | — | — | |
| SCHEMBL15633114 | 0.76 | HTR2A (0.32) | — | |
| SCHEMBL16466586 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL16465686 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL15633563 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL17816256 | 0.67 | SQOR (0.33) | — |
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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3656384-B1 | COMBINATIONS COMPRISING 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE FOR THE PROPHYLAXIS OR TREATMENT OF INFECTION BY HIV | MERCK SHARP & DOHME (US) | 2022-02-23 | — | — | EP | disclosed |
| EP-3656384-B1 | COMBINATIONS COMPRISING 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE FOR THE PROPHYLAXIS OR TREATMENT OF INFECTION BY HIV | MERCK SHARP & DOHME (US) | 2022-02-23 | — | — | EP | disclosed |
| EP-3785714-A1 | PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2021-03-03 | — | — | EP | disclosed |
| EP-3785714-A1 | PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2021-03-03 | — | — | EP | disclosed |
| EP-3125894-B1 | PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME (US) | 2020-09-09 | — | — | EP | disclosed |
| EP-3125894-B1 | PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME (US) | 2020-09-09 | — | — | EP | disclosed |
| EP-3656384-A1 | COMBINATIONS COMPRISING 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE FOR THE PROPHYLAXIS OR TREATMENT OF INFECTION BY HIV | MERCK SHARP & DOHME CORP. (US) | 2020-05-27 | — | — | EP | disclosed |
| EP-3656384-A1 | COMBINATIONS COMPRISING 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE FOR THE PROPHYLAXIS OR TREATMENT OF INFECTION BY HIV | MERCK SHARP & DOHME CORP. (US) | 2020-05-27 | — | — | EP | disclosed |
| EP-3295942-B1 | COMBINATIONS COMPRISING 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE FOR THE PROPHYLAXIS OR TREATMENT OF INFECTION BY HIV | MERCK SHARP & DOHME (US) | 2019-11-20 | — | — | EP | disclosed |
| EP-3295942-B1 | COMBINATIONS COMPRISING 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE FOR THE PROPHYLAXIS OR TREATMENT OF INFECTION BY HIV | MERCK SHARP & DOHME (US) | 2019-11-20 | — | — | EP | disclosed |
| US-9469634-B2 | Non-nucleoside reverse transcriptase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-10-18 | — | — | US | disclosed |
| US-9469634-B2 | Non-nucleoside reverse transcriptase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-10-18 | — | — | US | disclosed |
| US-20160145255-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-05-26 | — | — | US | disclosed |
| US-20160145255-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-05-26 | — | — | US | disclosed |
| US-20160145255-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-05-26 | — | — | US | disclosed |
| WO-2015153304-A1 | PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-10-08 | — | — | WO | disclosed |
| WO-2015153304-A1 | PRODRUGS OF HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-10-08 | — | — | WO | disclosed |
| EP-2903977-A1 | 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2015-08-12 | — | — | EP | disclosed |
| WO-2014058747-A1 | 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2014-04-17 | — | — | WO | disclosed |
| US-20140100231-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-04-10 | — | — | US | disclosed |