⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2153981 | 1.00 | — | — | |
| SCHEMBL12808547 | 1.00 | — | — | |
| SCHEMBL27339437 | 0.97 | — | — | |
| Bicarbonate SCHEMBL11810684 | 0.87 | — | — | |
| SCHEMBL4584154 | 0.80 | TP53 (0.32) | — | |
| SCHEMBL2614303 | 0.80 | TP53 (0.32) | — | |
| SCHEMBL27746871 | 0.78 | — | — | |
| SCHEMBL27746893 | 0.78 | — | — | |
| SCHEMBL3411682 | 0.77 | — | — | |
| SCHEMBL19284984 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017120507-A1 | NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2017-07-13 | — | — | WO | disclosed |
| US-20120070867-A1 | PROCESS FOR THE ENZYMATIC REDUCTION OF ENOATES | BASF SE (DE) | 2012-03-22 | — | — | US | disclosed |
| WO-2010139651-A2 | A PROCESS FOR THE ENZYMATIC REDUCTION OF ENOATES | BASF SE (DE) | 2010-12-09 | — | — | WO | disclosed |