⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16341734 | 1.00 | — | — | |
| SCHEMBL16341690 | 1.00 | — | — | |
| SCHEMBL16341694 | 1.00 | — | — | |
| SCHEMBL16341126 | 0.99 | — | — | |
| SCHEMBL15806237 | 0.94 | TAS1R3 (0.32) | — | |
| SCHEMBL17222816 | 0.94 | TAS1R3 (0.32) | — | |
| SCHEMBL17222806 | 0.94 | TAS1R3 (0.32) | — | |
| SCHEMBL17222834 | 0.94 | TAS1R3 (0.32) | — | |
| Hydrochloric Acid SCHEMBL16341294 | 0.93 | TAS1R3 (0.31) | — | |
| SCHEMBL17222832 | 0.93 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2821409-A1 | Metal alkylidene complexes comprising an unsymmetrical unsaturated NHC ligand | Centre National de la Recherche Scientifique (CNRS) (FR) | 2015-01-07 | — | — | EP | disclosed |