⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19865214 | 0.70 | — | — | |
| SCHEMBL21523570 | 0.69 | — | — | |
| SCHEMBL13563089 | 0.63 | — | — | |
| SCHEMBL22614884 | 0.60 | — | — | |
| SCHEMBL4207584 | 0.60 | TSHR (0.32) | — | |
| SCHEMBL4495310 | 0.60 | CYP1A2 (0.44) | — | |
| SCHEMBL3674323 | 0.60 | — | — | |
| SCHEMBL13563070 | 0.58 | — | — | |
| SCHEMBL19019764 | 0.56 | CYP1A2 (0.37) | — | |
| SCHEMBL17298884 | 0.56 | — | — |
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-3478698-B1 | METHOD FOR THE SEPARATION OF ENANTIOMERIC MIXTURES FROM METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2021-01-13 | — | — | EP | disclosed |