⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15559782 | 0.97 | CA2 (0.33) | — | |
| SCHEMBL4607750 | 0.81 | ALDH1A1 (0.38) | — | |
| SCHEMBL362888 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL277199 | 0.77 | — | — | |
| SCHEMBL618264 | 0.77 | CA2 (0.32) | — | |
| SCHEMBL8483032 | 0.74 | CA2 (0.35) | — | |
| SCHEMBL6830961 | 0.74 | — | — | |
| SCHEMBL8483033 | 0.74 | CA2 (0.35) | — | |
| SCHEMBL7364145 | 0.74 | — | — | |
| SCHEMBL25000 | 0.72 | CA2 (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 |
|---|---|---|---|---|---|---|---|
| EP-3407361-A1 | REDOX MELTS FORMED BY COPPER (I)/(II) COMPLEXES AS CHARGE TRANSFER AND CHARGE STORAGE MATERIALS | Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) | 2018-11-28 | — | — | EP | claimed |
| EP-3407361-A1 | REDOX MELTS FORMED BY COPPER (I)/(II) COMPLEXES AS CHARGE TRANSFER AND CHARGE STORAGE MATERIALS | Ecole Polytechnique Fédérale de Lausanne (EPFL) (CH) | 2018-11-28 | — | — | EP | disclosed |