⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2936659 | 0.73 | ALDH1A1 (0.46) | — | |
| SCHEMBL1032263 | 0.73 | NPSR1 (0.48) | — | |
| SCHEMBL6938679 | 0.73 | — | — | |
| SCHEMBL129787 | 0.73 | — | — | |
| SCHEMBL30435253 | 0.71 | NPSR1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL5954255 | 0.71 | NPSR1 (0.46) | — | |
| SCHEMBL31396674 | 0.71 | NPSR1 (0.46) | — | |
| Hydrochloric Acid SCHEMBL8741189 | 0.71 | ALDH1A1 (0.43) | — | |
| SCHEMBL29588843 | 0.69 | ALDH1A1 (0.46) | — | |
| SCHEMBL15515178 | 0.69 | NPSR1 (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7109377-B2 | Synthesis of combinatorial libraries of compounds reminiscent of natural products | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2006-09-19 | — | — | US | disclosed |
| US-20030082830-A1 | Synthesis of combinatorial libraries of compounds reminiscent of natural products | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-05-01 | — | — | US | disclosed |
| US-6448443-B1 | GENERATED FROM DIVERSIFIABLE SCAFFOLDS SYNTHESIZED FROM THE PYRIDINE-BASED TEMPLATE ISONICOTINAMIDE; ALSO PROVIDES A NOVEL ORTHO-NITROBENZYL PHOTOLINKER; SYNTHESIZED FROM A SHIKIMIC ACID BASED EPOXYOL TEMPLATE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2002-09-10 | — | — | US | disclosed |
| WO-2000006525-A9 | SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS | HARVARD COLLEGE (US) | 2000-04-20 | — | — | WO | disclosed |
| WO-2000006525-A2 | SYNTHESIS OF COMBINATORIAL LIBRARIES OF COMPOUNDS REMINISCENT OF NATURAL PRODUCTS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2000-02-10 | — | — | WO | disclosed |