⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16147987 | 0.80 | FAAH (0.72) | — | |
| SCHEMBL810081 | 0.80 | — | — | |
| SCHEMBL9190607 | 0.77 | CES1 (0.43) | — | |
| SCHEMBL810063 | 0.77 | — | — | |
| SCHEMBL330284 | 0.77 | — | — | |
| SCHEMBL23776690 | 0.76 | FAAH (0.44) | — | |
| SCHEMBL5323967 | 0.76 | FAAH (0.44) | — | |
| SCHEMBL28353305 | 0.76 | — | — | |
| SCHEMBL28687646 | 0.74 | — | — | |
| SCHEMBL23776682 | 0.74 | FAAH (0.43) | — |
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 2 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 |
| WO-2008005368-A2 | PIPERAZINES AS P2X7 ANTAGONISTS | ABBOTT LABORATORIES (US) | 2008-01-10 | — | — | WO | disclosed |