⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19432260 | 0.76 | KMT2A (0.32) | — | |
| SCHEMBL1184928 | 0.73 | — | — | |
| SCHEMBL17935762 | 0.72 | — | — | |
| SCHEMBL22059672 | 0.72 | — | — | |
| SCHEMBL7754887 | 0.72 | — | — | |
| SCHEMBL31327912 | 0.70 | TSHR (0.43) | — | |
| SCHEMBL1034321 | 0.69 | — | — | |
| SCHEMBL2487561 | 0.69 | — | — | |
| SCHEMBL2017248 | 0.69 | — | — | |
| SCHEMBL22047284 | 0.69 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3826723-B1 | BORONIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2023-10-18 | — | — | EP | disclosed |
| US-20210317145-A1 | Boronic Acid Derivatives | MERCK PATENT GMBH (DE) | 2021-10-14 | — | — | US | disclosed |
| WO-2020020858-A1 | BORONIC ACID DERIVATIVES | MERCK PATENT GMBH (DE) | 2020-01-30 | — | — | WO | disclosed |
| US-7897592-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-03-01 | — | — | US | disclosed |
| US-7897592-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-03-01 | — | — | US | disclosed |
| US-7893055-B2 | pyrimido[2,1-c][1,4]oxazine-2-carboxamide, N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-; inhibits HIV integrase and prevent viral integration into human DNA | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-02-22 | — | — | US | disclosed |
| US-7893055-B2 | pyrimido[2,1-c][1,4]oxazine-2-carboxamide, N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-; inhibits HIV integrase and prevent viral integration into human DNA | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-02-22 | — | — | US | disclosed |
| US-7893055-B2 | pyrimido[2,1-c][1,4]oxazine-2-carboxamide, N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4,6,7,9-tetrahydro-3-hydroxy-9,9-dimethyl-4-oxo-; inhibits HIV integrase and prevent viral integration into human DNA | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-02-22 | — | — | US | disclosed |
| US-20080004265-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2008-01-03 | — | — | US | disclosed |
| US-20080004265-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2008-01-03 | — | — | US | disclosed |
| US-20080004265-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2008-01-03 | — | — | US | disclosed |
| WO-2008002959-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-01-03 | — | — | WO | disclosed |
| WO-2008002959-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-01-03 | — | — | WO | disclosed |
| WO-2007059125-A2 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-24 | — | — | WO | disclosed |
| US-20070112190-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-05-17 | — | — | US | disclosed |
| US-20070112190-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-05-17 | — | — | US | disclosed |