⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3852239 | 1.00 | — | — | |
| SCHEMBL3853274 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL1371062 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1371065 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL28693809 | 0.97 | — | — | |
| SCHEMBL27973595 | 0.79 | — | — | |
| SCHEMBL993291 | 0.78 | — | — | |
| SCHEMBL18410645 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL18130910 | 0.77 | — | — | |
| SCHEMBL1525883 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180273553-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS | ANACOR PHARMACEUTICALS, INC. | 2018-09-27 | — | — | US | disclosed |
| US-10011616-B2 | Boron-containing small molecules as antiprotozoal1 agents | MMV MEDICINES FOR MALARIA VENTURE (CH) | 2018-07-03 | — | — | US | disclosed |
| WO-2018093695-A1 | FACTOR XIIa INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-05-24 | — | — | WO | disclosed |
| US-20180072760-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOALl AGENTS | MMV MEDICINES FOR MALARIA VENTURE (CH) | 2018-03-15 | — | — | US | disclosed |
| EP-3280717-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS | Anacor Pharmaceuticals, Inc. (US) | 2018-02-14 | — | — | EP | disclosed |
| WO-2017000277-A1 | SUBSTITUTED TRIAZOLO BICYCLICCOMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-01-05 | — | — | WO | disclosed |
| WO-2017003894-A1 | SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-01-05 | — | — | WO | disclosed |
| WO-2016164814-A1 | BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS | ANACOR PHARMACEUTICALS, INC. (US) | 2016-10-13 | — | — | WO | disclosed |
| US-8846696-B2 | Purine derivatives | CYCLACEL LIMITED (GB) | 2014-09-30 | — | — | US | disclosed |
| US-8846696-B2 | Purine derivatives | CYCLACEL LIMITED (GB) | 2014-09-30 | — | — | US | disclosed |
| EP-1534708-B1 | PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS | CYCLACEL LTD (GB) | 2006-04-26 | — | — | EP | disclosed |
| US-20050256142-A1 | 4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-2-methyl-hexan-3-ol;antiproliferative agents; viricides; alopecia; strokes; central nervous system diorders; neurodegenerative diseases; antidiabetic agents; mitosis; cyclin dependent kinase inhibitors; protein kinase inhibitors | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2005-11-17 | — | — | US | disclosed |
| EP-1399446-B1 | 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS | CYCLACEL LTD (GB) | 2005-08-03 | — | — | EP | disclosed |
| EP-1534708-A2 | PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS | Cyclacel Limited (GB) | 2005-06-01 | — | — | EP | disclosed |
| EP-1529047-A2 | NEW PURINE DERIVATIVES | Cyclacel Limited (GB) | 2005-05-11 | — | — | EP | disclosed |
| US-20050009846-A1 | 2,6,9-Substituted purine derivatives and their use in the treatment of proliferative disorders | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2005-01-13 | — | — | US | disclosed |
| EP-1399446-A1 | 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS | Cyclacel Limited (GB) | 2004-03-24 | — | — | EP | disclosed |
| WO-2004016612-A2 | NEW PURINE DERIVATIVES | CYCLACEL LIMITED (GB) | 2004-02-26 | — | — | WO | disclosed |
| WO-2004016613-A2 | PURINE DERIVATIVES AND THEIR USE AS ANTIPROLIFERATIVE AGENTS | CYCLACEL LIMITED (GB) | 2004-02-26 | — | — | WO | disclosed |
| WO-2003002565-A1 | 2,6,9-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE N THE TREATMENT OF PROLIFERATIVE DISORDERS | CYCLACEL LIMITED (GB) | 2003-01-09 | — | — | WO | disclosed |