⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31522061 | 1.00 | — | — | |
| SCHEMBL524953 | 1.00 | — | — | |
| SCHEMBL17550009 | 0.91 | TSHR (0.53) | — | |
| SCHEMBL4636343 | 0.89 | TSHR (0.53) | — | |
| SCHEMBL7062564 | 0.88 | ALDH1A1 (0.47) | — | |
| SCHEMBL40046 | 0.87 | — | — | |
| SCHEMBL8192368 | 0.87 | — | — | |
| Cyclopentanol SCHEMBL971085 | 0.85 | TSHR (0.62) | — | |
| Hydrochloric Acid SCHEMBL3673085 | 0.84 | — | — | |
| Cyclohexanol SCHEMBL973289 | 0.82 | TSHR (0.59) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8501961-B2 | HIV protease inhibitors and methods for using | PURDUE RESEARCH FOUNDATION (US) | 2013-08-06 | — | — | US | disclosed |
| US-8501961-B2 | HIV protease inhibitors and methods for using | PURDUE RESEARCH FOUNDATION (US) | 2013-08-06 | — | — | US | disclosed |
| US-8501961-B2 | HIV protease inhibitors and methods for using | PURDUE RESEARCH FOUNDATION (US) | 2013-08-06 | — | — | US | disclosed |
| US-20110118330-A1 | HIV PROTEASE INHIBITORS AND METHODS FOR USING | PURDUE RESEARCH FOUNDATION (US) | 2011-05-19 | — | — | US | disclosed |
| US-20110118330-A1 | HIV PROTEASE INHIBITORS AND METHODS FOR USING | PURDUE RESEARCH FOUNDATION (US) | 2011-05-19 | — | — | US | disclosed |
| US-20110118330-A1 | HIV PROTEASE INHIBITORS AND METHODS FOR USING | PURDUE RESEARCH FOUNDATION (US) | 2011-05-19 | — | — | US | disclosed |
| EP-2304043-A1 | HIV PROTEASE INHIBITORS AND METHODS FOR USING | Purdue Research Foundation (US) | 2011-04-06 | — | — | EP | disclosed |
| WO-2010006050-A1 | HIV PROTEASE INHIBITORS AND METHODS FOR USING | PURDUE RESEARCH FOUNDATION (US) | 2010-01-14 | — | — | WO | disclosed |
| WO-2010006050-A1 | HIV PROTEASE INHIBITORS AND METHODS FOR USING | PURDUE RESEARCH FOUNDATION (US) | 2010-01-14 | — | — | WO | disclosed |