⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL802806 | 0.75 | — | — | |
| SCHEMBL31527977 | 0.75 | — | — | |
| SCHEMBL19437180 | 0.75 | — | — | |
| SCHEMBL8062044 | 0.75 | — | — | |
| SCHEMBL17264660 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL27581607 | 0.73 | CCR1 (0.41) | — | |
| SCHEMBL8083755 | 0.73 | — | — | |
| SCHEMBL15929893 | 0.72 | NOS2 (0.48) | — | |
| SCHEMBL21092873 | 0.71 | — | — | |
| SCHEMBL4928895 | 0.71 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2280981-B1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-04-23 | — | — | EP | claimed |
| US-8129398-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-06 | — | — | US | claimed |
| EP-2280981-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2011-02-09 | — | — | EP | claimed |
| US-20090253677-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2009-10-08 | — | — | US | claimed |
| WO-2009117540-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-24 | — | — | WO | claimed |
| EP-2280981-B1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2014-04-23 | — | — | EP | disclosed |
| US-8129398-B2 | HIV integrase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-06 | — | — | US | disclosed |
| EP-2280981-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2011-02-09 | — | — | EP | disclosed |
| US-20090253677-A1 | HIV Integrase Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2009-10-08 | — | — | US | disclosed |
| WO-2009117540-A1 | BRIDGED HETEROCYCLES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-24 | — | — | WO | disclosed |