⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18375835 | 0.88 | — | — | |
| SCHEMBL1108988 | 0.84 | — | — | |
| SCHEMBL20229323 | 0.84 | — | — | |
| SCHEMBL608320 | 0.84 | — | — | |
| SCHEMBL1887121 | 0.80 | — | — | |
| SCHEMBL22627237 | 0.80 | — | — | |
| SCHEMBL608723 | 0.79 | SLC6A2 (0.34) | — | |
| SCHEMBL271863 | 0.72 | — | — | |
| SCHEMBL20929389 | 0.72 | — | — | |
| SCHEMBL799824 | 0.72 | — | — |
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-2020021021-A1 | ORTHO SUBSTITUTED PHENOXYPROPYLAMINO AND BENZYLOXYPROPYLAMINO DERIVATIVES HAVING MULTIMODAL ACTIVITY AGAINST PAIN | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-01-30 | — | — | WO | disclosed |