⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19163803 | 0.74 | — | — | |
| SCHEMBL28848166 | 0.66 | SIGMAR1 (0.38) | — | |
| SCHEMBL2192806 | 0.65 | — | — | |
| SCHEMBL30874385 | 0.64 | — | — | |
| SCHEMBL30696109 | 0.64 | — | — | |
| SCHEMBL2387226 | 0.61 | — | — | |
| SCHEMBL2592585 | 0.61 | — | — | |
| SCHEMBL6991992 | 0.56 | CYP11B2 (0.33) | — | |
| SCHEMBL2353333 | 0.55 | — | — | |
| SCHEMBL7945578 | 0.55 | — | — |
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-105579456-A | NOVEL NEUROKININ 1 RECEPTOR ANTAGONIST COMPOUNDS II | LEO PHARMA AS | 2016-05-11 | — | — | CN | disclosed |