⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3856157 | 1.00 | — | — | |
| SCHEMBL3876725 | 0.74 | — | — | |
| SCHEMBL12510665 | 0.74 | — | — | |
| SCHEMBL13635951 | 0.72 | — | — | |
| SCHEMBL7823415 | 0.69 | — | — | |
| SCHEMBL6279266 | 0.69 | — | — | |
| SCHEMBL10289798 | 0.69 | AKR1B1 (0.42) | — | |
| SCHEMBL16373412 | 0.69 | — | — | |
| SCHEMBL6288609 | 0.69 | MAPK1 (0.54) | — | |
| SCHEMBL10056679 | 0.69 | AKR1B1 (0.42) | — |
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-20140162900-A1 | METHOD FOR HIGH-THROUGHPUT SCREENING OF COMPOUNDS AND COMBINATIONS OF COMPOUNDS FOR DISCOVERY AND QUANTIFICATION OF ACTIONS, PARTICULARLY UNANTICIPATED THERAPEUTIC OR TOXIC ACTIONS, IN BIOLOGICAL SYSTEMS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-06-12 | — | — | US | disclosed |
| US-8401800-B2 | Molecular flux rates through critical pathways measured by stable isotope labeling in vivo, as biomarkers of drug action and disease activity | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2013-03-19 | — | — | US | disclosed |
| US-20120115127-A1 | MOLECULAR FLUX RATES THROUGH CRITICAL PATHWAYS MEASURED BY STABLE ISOTOPE LABELING IN VIVO, AS BIOMARKERS OF DRUG ACTION AND DISEASE ACTIVITY | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-05-10 | — | — | US | disclosed |