⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7535532 | 0.79 | HRH3 (0.34) | — | |
| SCHEMBL3381880 | 0.79 | — | — | |
| SCHEMBL4940854 | 0.76 | — | — | |
| SCHEMBL5322896 | 0.75 | HRH4 (0.32) | — | |
| SCHEMBL12790387 | 0.75 | HTR3E (0.32) | — | |
| Bromide SCHEMBL6172471 | 0.74 | — | — | |
| SCHEMBL27482528 | 0.73 | — | — | |
| SCHEMBL16312420 | 0.72 | NOS3 (0.41) | — | |
| SCHEMBL4763745 | 0.71 | — | — | |
| SCHEMBL1258574 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010017405-A1 | METHODS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | HELLER ADAM (US) | 2010-02-11 | — | — | WO | disclosed |