⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15742745 | 0.80 | — | — | |
| SCHEMBL1068615 | 0.73 | ENPP3 (0.33) | — | |
| SCHEMBL9770289 | 0.71 | ENPP3 (0.33) | — | |
| SCHEMBL8572037 | 0.69 | — | — | |
| SCHEMBL760452 | 0.68 | — | — | |
| SCHEMBL458359 | 0.68 | — | — | |
| SCHEMBL147747 | 0.67 | — | — | |
| SCHEMBL1091688 | 0.67 | — | — | |
| SCHEMBL11032497 | 0.66 | ALDH1A1 (0.38) | — | |
| SCHEMBL585620 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7951602-B2 | Mass defect labeling and methods of use thereof | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) | 2011-05-31 | — | — | US | disclosed |
| US-20090061523-A1 | MASS DEFECT LABELING AND METHODS OF USE THEREOF | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-03-05 | — | — | US | disclosed |