⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10157729 | 0.82 | PTGS1 (0.31) | — | |
| SCHEMBL7366104 | 0.78 | HTR2A (0.37) | — | |
| SCHEMBL12385469 | 0.72 | — | — | |
| SCHEMBL26926708 | 0.62 | HTR2A (0.36) | — | |
| SCHEMBL16225379 | 0.60 | — | — | |
| SCHEMBL28223117 | 0.60 | — | — | |
| SCHEMBL22315275 | 0.57 | BRD4 (0.32) | — | |
| SCHEMBL16575944 | 0.55 | — | — | |
| SCHEMBL13439215 | 0.54 | — | — | |
| SCHEMBL12653605 | 0.54 | — | — |
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-8907104-B2 | Synthesis of enone intermediate | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2014-12-09 | — | — | US | disclosed |
| US-20140179929-A1 | SYNTHESIS OF ENONE INTERMEDIATE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2014-06-26 | — | — | US | disclosed |
| US-8580969-B2 | Synthesis of enone intermediate | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2013-11-12 | — | — | US | disclosed |
| US-20130217886-A1 | SYNTHESIS OF ENONE INTERMEDIATE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2013-08-22 | — | — | US | disclosed |
| US-8293920-B2 | Synthesis of enone intermediate | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-10-23 | — | — | US | disclosed |
| US-20120029199-A1 | SYNTHESIS OF ENONE INTERMEDIATE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2012-02-02 | — | — | US | disclosed |
| US-7960559-B2 | Synthesis of enone intermediate | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2011-06-14 | — | — | US | disclosed |
| US-20110009639-A1 | SYNTHESIS OF ENONE INTERMEDIATE | MYERS ANDREW G | 2011-01-13 | — | — | US | disclosed |
| US-7763735-B2 | modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2010-07-27 | — | — | US | disclosed |
| US-20090093640-A1 | modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-04-09 | — | — | US | disclosed |