⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17549894 | 0.79 | — | — | |
| SCHEMBL9085944 | 0.73 | — | — | |
| SCHEMBL9085940 | 0.73 | — | — | |
| SCHEMBL530511 | 0.71 | — | — | |
| SCHEMBL20834961 | 0.71 | EPHX1 (0.46) | — | |
| SCHEMBL8904798 | 0.71 | EPHX1 (0.46) | — | |
| SCHEMBL8904793 | 0.71 | EPHX1 (0.46) | — | |
| SCHEMBL22939917 | 0.71 | EPHX1 (0.46) | — | |
| SCHEMBL5679687 | 0.71 | — | — | |
| SCHEMBL12223742 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20180026209-A1 | Metal Complexes | MERCK PATENT GMBH (DE) | 2018-01-25 | — | — | US | disclosed |
| WO-2016124304-A1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2016-08-11 | — | — | WO | disclosed |