⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11025201 | 0.55 | — | — | |
| SCHEMBL5849008 | 0.53 | ALDH1A1 (0.46) | — | |
| Calcium Chloride SCHEMBL5381230 | 0.45 | — | — | |
| SCHEMBL7079561 | 0.43 | — | — | |
| Calcium Chloride SCHEMBL23803973 | 0.41 | — | — | |
| Calcium Chloride SCHEMBL22532692 | 0.41 | — | — | |
| Calcium Chloride SCHEMBL23441478 | 0.41 | — | — | |
| Calcium Chloride SCHEMBL20577233 | 0.41 | — | — | |
| Calcium Chloride SCHEMBL21751993 | 0.41 | — | — | |
| Perchlorobenzene SCHEMBL8872243 | 0.41 | ALDH1A1 (0.50) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8852320-B2 | Preparation of metal-triazolate frameworks | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-10-07 | — | — | US | claimed |
| EP-2665733-A2 | PREPARATION OF METAL-TRIAZOLATE FRAMEWORKS | The Regents of The University of California (US) | 2013-11-27 | — | — | EP | claimed |
| US-20120186449-A1 | PREPARATION OF METAL-TRIAZOLATE FRAMEWORKS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-07-26 | — | — | US | claimed |
| WO-2012100224-A2 | PREPARATION OF METAL-TRIAZOLATE FRAMEWORKS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-07-26 | — | — | WO | claimed |
| EP-3611165-B1 | PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT | MITSUI CHEMICALS CROP & LIFE SOLUTIONS INC (JP) | 2023-08-16 | — | — | EP | disclosed |
| US-8852320-B2 | Preparation of metal-triazolate frameworks | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-10-07 | — | — | US | disclosed |
| EP-2665733-A2 | PREPARATION OF METAL-TRIAZOLATE FRAMEWORKS | The Regents of The University of California (US) | 2013-11-27 | — | — | EP | disclosed |
| WO-2012100224-A2 | PREPARATION OF METAL-TRIAZOLATE FRAMEWORKS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-07-26 | — | — | WO | disclosed |
| US-20120186449-A1 | PREPARATION OF METAL-TRIAZOLATE FRAMEWORKS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-07-26 | — | — | US | disclosed |