⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19788628 | 0.76 | — | — | |
| SCHEMBL2631142 | 0.74 | — | — | |
| SCHEMBL2631135 | 0.73 | — | — | |
| SCHEMBL18536299 | 0.71 | — | — | |
| SCHEMBL329436 | 0.71 | — | — | |
| SCHEMBL20175847 | 0.71 | — | — | |
| SCHEMBL20347814 | 0.71 | — | — | |
| SCHEMBL5383072 | 0.71 | — | — | |
| SCHEMBL20725028 | 0.69 | — | — | |
| SCHEMBL21086884 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200299297-A1 | NEW ALCOXYAMINO DERIVATIVES FOR TREATING PAIN AND PAIN RELATED CONDITIONS | ESTEVE PHARMACEUTICALS, S.A. (ES) | 2020-09-24 | — | — | US | disclosed |