⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12776797 | 0.80 | KDM4E (0.31) | — | |
| SCHEMBL5579921 | 0.77 | — | — | |
| SCHEMBL12776759 | 0.77 | — | — | |
| SCHEMBL2080159 | 0.77 | CYP2D6 (0.33) | — | |
| SCHEMBL25542133 | 0.76 | DPP4 (0.30) | — | |
| SCHEMBL2079822 | 0.75 | CYP3A4 (0.39) | — | |
| SCHEMBL20745667 | 0.75 | DPP4 (0.33) | — | |
| SCHEMBL2079604 | 0.74 | GAA (0.35) | — | |
| SCHEMBL1170177 | 0.72 | — | — | |
| SCHEMBL25543529 | 0.72 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7902182-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-03-08 | — | — | 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 |
| EP-1745052-B9 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2009-10-28 | — | — | EP | disclosed |
| CN-101351452-A | HIV integrase inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2009-01-21 | — | — | CN | disclosed |
| US-7419969-B2 | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-09-02 | — | — | US | disclosed |
| EP-1745052-B1 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2008-08-20 | — | — | EP | disclosed |
| EP-1948621-A1 | HIV INTEGRASE INHIBITORS | Brystol-Myers Squibb Company (US) | 2008-07-30 | — | — | EP | 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 |
| US-7273859-B2 | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-09-25 | — | — | US | disclosed |
| WO-2007064619-A1 | PYRIMIDINE DERIVATIVES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-07 | — | — | WO | disclosed |
| US-20070129379-A1 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2007-06-07 | — | — | US | disclosed |
| WO-2007058646-A1 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-24 | — | — | WO | disclosed |
| WO-2007059229-A1 | HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-05-24 | — | — | WO | disclosed |
| US-20070111985-A1 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2007-05-17 | — | — | US | disclosed |
| EP-1745052-A1 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | Bristol-Myers Squibb Company (US) | 2007-01-24 | — | — | EP | disclosed |
| US-20060106007-A1 | HIV integrase inhibitors: cyclic pyrimidinone compounds | ROBERT BOSCH GMBH (DE) | 2006-05-18 | — | — | US | disclosed |
| WO-2005113562-A1 | HIV INTEGRASE INHIBITORS: CYCLIC PYRIMIDINONE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-01 | — | — | WO | disclosed |
| US-20050256109-A1 | HIV integrase inhibitors: cyclic pyrimidinone compounds | BRISTOL-MYERS SQUIBB COMPANY | 2005-11-17 | — | — | US | disclosed |