⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8451918 | 0.92 | CYP2C19 (0.35) | — | |
| SCHEMBL1665194 | 0.86 | CYP2C19 (0.39) | — | |
| SCHEMBL9103898 | 0.86 | CYP2C19 (0.35) | — | |
| SCHEMBL901797 | 0.84 | CYP2C19 (0.42) | — | |
| SCHEMBL14740237 | 0.84 | CYP2C19 (0.42) | — | |
| SCHEMBL8890018 | 0.84 | CYP2C19 (0.42) | — | |
| SCHEMBL3276620 | 0.84 | CYP2C19 (0.42) | — | |
| SCHEMBL16718745 | 0.84 | CYP2C19 (0.42) | — | |
| SCHEMBL10784445 | 0.84 | CYP2C19 (0.42) | — | |
| SCHEMBL8710848 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2305633-B1 | Catechol derivative and its use | KISSEI PHARMACEUTICAL (JP) | 2013-03-20 | — | — | EP | disclosed |