⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22421078 | 1.00 | — | — | |
| SCHEMBL14529359 | 0.97 | — | — | |
| SCHEMBL21068089 | 0.92 | HRH4 (0.31) | — | |
| SCHEMBL18593528 | 0.92 | HRH4 (0.31) | — | |
| SCHEMBL22109525 | 0.86 | — | — | |
| SCHEMBL13330134 | 0.86 | — | — | |
| SCHEMBL23797204 | 0.84 | — | — | |
| SCHEMBL27419310 | 0.81 | — | — | |
| SCHEMBL13330133 | 0.81 | — | — | |
| SCHEMBL21536982 | 0.80 | ALDH1A1 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3303326-B1 | HETEROCYCLIC ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2020-12-16 | — | — | EP | disclosed |
| EP-2482978-B1 | HETEROGENEOUS RHODIUM METAL CATALYSTS | UNIV ALBERTA (CA) | 2018-05-09 | — | — | EP | disclosed |