⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17006223 | 0.83 | CYP4F2 (0.33) | — | |
| SCHEMBL17006213 | 0.83 | — | — | |
| SCHEMBL17006211 | 0.83 | — | — | |
| SCHEMBL17006104 | 0.80 | USP2 (0.43) | — | |
| SCHEMBL17006075 | 0.80 | PAOX (0.35) | — | |
| SCHEMBL17006175 | 0.77 | ALDH1A1 (0.30) | — | |
| SCHEMBL30829435 | 0.77 | CYP4F2 (0.30) | — | |
| SCHEMBL15476447 | 0.77 | TET3 (0.32) | — | |
| SCHEMBL31727282 | 0.74 | — | — | |
| SCHEMBL4463404 | 0.72 | CYP2C19 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3107918-A1 | PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV HEALTHCARE (NO.5) LIMITED (GB) | 2016-12-28 | — | — | EP | disclosed |
| US-9273067-B2 | Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-03-01 | — | — | US | disclosed |
| WO-2015126737-A1 | PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-08-27 | — | — | WO | disclosed |
| US-20150232481-A1 | Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication | VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) | 2015-08-20 | — | — | US | disclosed |