⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8358538 | 0.89 | TSHR (0.43) | — | |
| SCHEMBL1913 | 0.89 | — | — | |
| SCHEMBL3426362 | 0.89 | — | — | |
| SCHEMBL2151842 | 0.89 | TSHR (0.43) | — | |
| SCHEMBL11632388 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL1984837 | 0.80 | — | — | |
| SCHEMBL4062894 | 0.80 | — | — | |
| Water SCHEMBL11756523 | 0.80 | — | — | |
| Bromide SCHEMBL10538725 | 0.80 | TSHR (0.38) | — | |
| SCHEMBL17620634 | 0.80 | — | — |
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-3426668-A1 | PRECIOUS METAL COMPOUNDS | Umicore AG & Co. KG (DE) | 2019-01-16 | — | — | EP | disclosed |