Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6752105 | 0.83 | CRHBP (0.31) | — | |
| SCHEMBL11312341 | 0.67 | — | — | |
| SCHEMBL8576907 | 0.63 | — | — | |
| Potassium Ion SCHEMBL3971393 | 0.61 | — | — | |
| SCHEMBL11090349 | 0.61 | — | — | |
| SCHEMBL11820132 | 0.60 | — | — | |
| SCHEMBL8385201 | 0.60 | CA2 (0.32) | — | |
| SCHEMBL15363888 | 0.58 | — | — | |
| SCHEMBL12609413 | 0.58 | — | — | |
| SCHEMBL298185 | 0.56 | CRHBP (0.34) | — |
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-6706528-B2 | DETECTING MAGNESIUM ION WITH A CARBOXY-QUINOLIZINE COMPOUND TO FORM A COMPLEX AND DETECTING FLUORESCENCE IN SAID COMPLEX; FOR DIAGNOSIS OF CARDIOVASCULAR DISEASES | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES | 2004-03-16 | — | — | US | disclosed |
| US-20020031834-A1 | Fluorescent magnesium indicators | THE GOVERNMENT OF THE UNITED STATES | 2002-03-14 | — | — | US | disclosed |