⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25399844 | 0.80 | — | — | |
| SCHEMBL11601750 | 0.77 | — | — | |
| SCHEMBL31182198 | 0.75 | — | — | |
| SCHEMBL8535726 | 0.72 | — | — | |
| SCHEMBL28904613 | 0.70 | — | — | |
| SCHEMBL2745465 | 0.69 | — | — | |
| SCHEMBL652559 | 0.69 | — | — | |
| SCHEMBL911361 | 0.69 | — | — | |
| SCHEMBL25401108 | 0.67 | — | — | |
| SCHEMBL4629517 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113453676-A | Rotigotine stabilization method | 久光制药株式会社 | 2021-09-28 | — | — | CN | disclosed |