⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19624363 | 0.74 | PTPN2 (0.32) | — | |
| SCHEMBL19624135 | 0.69 | ESR1 (0.35) | — | |
| SCHEMBL19624146 | 0.68 | KDM4E (0.31) | — | |
| SCHEMBL19624376 | 0.67 | ESR1 (0.32) | — | |
| SCHEMBL19624244 | 0.66 | HDAC3 (0.34) | — | |
| SCHEMBL19624233 | 0.64 | ESR1 (0.33) | — | |
| SCHEMBL9064225 | 0.62 | CYP1A2 (0.45) | — | |
| SCHEMBL16379322 | 0.62 | CYP1A2 (0.45) | — | |
| SCHEMBL25082952 | 0.62 | CYP1A2 (0.41) | — | |
| SCHEMBL18725320 | 0.61 | ALOX15 (0.46) | — |
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-3246330-A1 | IMIDAZOLES AS HISTONE DEMETHYLASE INHIBITORS | Istituto Europeo di Oncologia S.r.l. (IT) | 2017-11-22 | — | — | EP | disclosed |