⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14433993 | 0.85 | CYP2C19 (0.60) | — | |
| SCHEMBL308579 | 0.82 | — | — | |
| SCHEMBL80292 | 0.82 | — | — | |
| SCHEMBL10874057 | 0.80 | CA12 (0.62) | — | |
| SCHEMBL28706188 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL13859051 | 0.78 | CYP2C19 (0.60) | — | |
| SCHEMBL30612397 | 0.78 | CYP2C19 (0.71) | — | |
| SCHEMBL2893263 | 0.78 | CYP2C19 (0.71) | — | |
| Iodide SCHEMBL7119508 | 0.78 | CYP2C19 (0.60) | — | |
| SCHEMBL11321305 | 0.78 | — | — |
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-2018081530-A1 | COMPOSITIONS AND METHODS FOR TREATING EZH2-MEDIATED CANCER | ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) | 2018-05-03 | — | — | WO | disclosed |