⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL483937 | 0.78 | — | — | |
| SCHEMBL1666625 | 0.76 | CHRM2 (0.40) | — | |
| SCHEMBL16389544 | 0.76 | — | — | |
| SCHEMBL6630555 | 0.76 | — | — | |
| SCHEMBL30671962 | 0.76 | CHRM2 (0.37) | — | |
| SCHEMBL3703901 | 0.74 | — | — | |
| SCHEMBL16414448 | 0.74 | — | — | |
| SCHEMBL16414634 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL27320173 | 0.73 | CHRM2 (0.38) | — | |
| Ethylene SCHEMBL28215210 | 0.73 | CHRM2 (0.36) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9499558-B2 | Compounds and methods for treating HIV | PURDUE RESEARCH FOUNDATION (US) | 2016-11-22 | — | — | US | disclosed |
| US-20150225414-A1 | COMPOUNDS AND METHODS FOR TREATING HIV | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-08-13 | — | — | US | disclosed |
| US-9024038-B2 | Compunds and methods for treating HIV | PURDUE RESEARCH FOUNDATION (US) | 2015-05-05 | — | — | US | disclosed |
| US-20140135359-A1 | METHODS OF DESIGNING, PREPARING, AND USING NOVEL PROTONOPHORES | MARTINEAU LOUIS C (CA) | 2014-05-15 | — | — | US | disclosed |
| US-20140135359-A1 | METHODS OF DESIGNING, PREPARING, AND USING NOVEL PROTONOPHORES | MARTINEAU LOUIS C (CA) | 2014-05-15 | — | — | US | disclosed |
| US-20130289067-A1 | COMPOUNDS AND METHODS FOR TREATING HIV | PURDUE RESEARCH FOUNDATION | 2013-10-31 | — | — | US | disclosed |
| WO-2012092168-A1 | FUSED 6,5 BICYCLIC RING SYSTEM P2 LIGANDS, AND METHODS FOR TREATING HIV | PURDUE RESEARCH FOUNDATION (US) | 2012-07-05 | — | — | WO | disclosed |