⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16156796 | 1.00 | — | — | |
| SCHEMBL16156837 | 0.92 | LGALS8 (0.30) | — | |
| SCHEMBL14905934 | 0.84 | LGALS8 (0.33) | — | |
| SCHEMBL16156791 | 0.84 | LGALS8 (0.33) | — | |
| SCHEMBL16193346 | 0.77 | LGALS8 (0.35) | — | |
| SCHEMBL14905964 | 0.77 | LGALS8 (0.35) | — | |
| SCHEMBL16156839 | 0.75 | ABCB1 (0.36) | — | |
| SCHEMBL16193347 | 0.74 | LGALS8 (0.38) | — | |
| SCHEMBL16156885 | 0.72 | LTA4H (0.35) | — | |
| SCHEMBL14905962 | 0.72 | LTA4H (0.35) | — |
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-2771343-B1 | METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER | SLOAN KETTERING INST CANCER (US) | 2016-07-13 | — | — | EP | disclosed |
| WO-2013063417-A1 | METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2013-05-02 | — | — | WO | disclosed |