⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5544206 | 1.00 | — | — | |
| SCHEMBL5494813 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL5499758 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL5499867 | 0.79 | — | — | |
| SCHEMBL5496846 | 0.79 | — | — | |
| SCHEMBL5199100 | 0.78 | — | — | |
| SCHEMBL28497357 | 0.78 | — | — | |
| SCHEMBL5665686 | 0.76 | — | — | |
| SCHEMBL6373695 | 0.74 | — | — | |
| SCHEMBL19518804 | 0.72 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7101684-B2 | Modified modular polyketide synthase | STANFORD UNIVERSITY (US) | 2006-09-05 | — | — | US | disclosed |
| EP-1493814-A1 | Cell-free synthesis of polyketides | THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2005-01-05 | — | — | EP | disclosed |
| EP-0836649-B1 | CELL-FREE SYNTHESIS OF POLYKETIDES | UNIV LELAND STANFORD JUNIOR (US) | 2004-12-29 | — | — | EP | disclosed |
| US-20040203119-A1 | Cell-free synthesis of polyketides | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2004-10-14 | — | — | US | disclosed |
| US-6750040-B1 | BY INCUBATING APPROPRIATE SUBSTRATE SET; FOR MAKING A LIBRARY OF POLYKETIDES | BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2004-06-15 | — | — | US | disclosed |
| US-6274560-B1 | INCUBATING DIKETIDE WITH MODIFIED POLYKETIDE SYNTHASE; RECOVERING; GENETIC ENGINEERING | BROWN UNIVERSITY RESEARCH FOUNDATION | 2001-08-14 | — | — | US | disclosed |
| US-6080555-A | Synthesis of polyketides from diketides | STANFORD UNIVERSITY (US) | 2000-06-27 | — | — | US | disclosed |
| EP-0836649-A4 | CELL-FREE SYNTHESIS OF POLYKETIDES | UNIV LELAND STANFORD JUNIOR (US) | 2000-04-05 | — | — | EP | disclosed |
| EP-0836649-A1 | CELL-FREE SYNTHESIS OF POLYKETIDES | THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 1998-04-22 | — | — | EP | disclosed |
| WO-1997002358-A1 | CELL-FREE SYNTHESIS OF POLYKETIDES | THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 1997-01-23 | — | — | WO | disclosed |