⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17703283 | 0.78 | — | — | |
| SCHEMBL19219099 | 0.78 | — | — | |
| SCHEMBL21737650 | 0.67 | — | — | |
| SCHEMBL16648065 | 0.66 | — | — | |
| SCHEMBL17072599 | 0.65 | — | — | |
| SCHEMBL19343697 | 0.65 | — | — | |
| SCHEMBL21003900 | 0.65 | — | — | |
| SCHEMBL20180048 | 0.65 | — | — | |
| SCHEMBL12016958 | 0.65 | — | — | |
| SCHEMBL17166575 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11024815-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2021-06-01 | — | — | US | disclosed |
| EP-3254317-B1 | METAL COMPLEXES | MERCK PATENT GMBH (DE) | 2019-07-31 | — | — | EP | disclosed |
| US-20180026209-A1 | Metal Complexes | MERCK PATENT GMBH (DE) | 2018-01-25 | — | — | US | disclosed |
| US-20120115882-A1 | SPIRO AMINO COMPOUNDS SUITABLE FOR THE TREATMENT OF INTER ALIA SLEEP DISORDERS AND DRUG ADDICTION | ROTTAPHARM BIOTECH S.R.L. (IT) | 2012-05-10 | — | — | US | disclosed |