⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28183053 | 0.65 | — | — | |
| SCHEMBL11067770 | 0.63 | — | — | |
| SCHEMBL5797902 | 0.58 | — | — | |
| SCHEMBL2936005 | 0.57 | — | — | |
| SCHEMBL17723152 | 0.56 | — | — | |
| SCHEMBL15899534 | 0.56 | — | — | |
| Trimethylammonium SCHEMBL27504976 | 0.55 | — | — | |
| SCHEMBL28852321 | 0.51 | — | — | |
| SCHEMBL8958289 | 0.47 | MALT1 (0.50) | — | |
| SCHEMBL21440419 | 0.47 | IDO1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013158782-A2 | METHODS AND COMPOSITIONS FOR TREATING CARDIAC ARRHYTHMIAS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2013-10-24 | — | — | WO | disclosed |
| CN-1278265-A | Process for preparing fulvene metal complexes | BAYER AG (DE) | 2000-12-27 | — | — | CN | disclosed |