⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL401852 | 0.77 | — | — | |
| SCHEMBL4588467 | 0.74 | GABBR1 (0.32) | — | |
| SCHEMBL16324649 | 0.72 | — | — | |
| SCHEMBL4588472 | 0.72 | — | — | |
| SCHEMBL7535963 | 0.72 | CES2 (0.33) | — | |
| SCHEMBL31362616 | 0.71 | GABRR1 (0.38) | — | |
| SCHEMBL3823613 | 0.69 | — | — | |
| SCHEMBL7753483 | 0.69 | — | — | |
| SCHEMBL7534611 | 0.69 | — | — | |
| SCHEMBL8266094 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090312559-A1 | CATALYTIC ENANTIOSELECTIVE SILYLATIONS OF SUBSTRATES | NATIONAL INSTITUTES OF HEALTH, U.S. DEPARTMENT OF HEALTH AND HUMAN SERVICES, U.S. GOVERNMENT | 2009-12-17 | — | — | US | disclosed |
| US-20070082883-A1 | HIV protease inhibitors | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2007-04-12 | — | — | US | disclosed |
| US-20040039016-A1 | HIV protease inhibitors | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-02-26 | — | — | US | disclosed |