⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19302707 | 1.00 | — | — | |
| SCHEMBL19302784 | 1.00 | — | — | |
| SCHEMBL19302706 | 1.00 | — | — | |
| SCHEMBL19302700 | 1.00 | — | — | |
| SCHEMBL19302969 | 0.90 | — | — | |
| SCHEMBL19302758 | 0.90 | — | — | |
| SCHEMBL19303035 | 0.90 | — | — | |
| SCHEMBL19302954 | 0.90 | — | — | |
| SCHEMBL19302906 | 0.88 | DOT1L (0.48) | — | |
| SCHEMBL19302813 | 0.88 | HINT1 (0.54) | — |
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-2017059411-A9 | INHIBITORS OF MENAQUINONE BIOSYNTHESIS | MEMORIAL SLOAN-KETTERING CANCER CENTER (US) | 2017-08-31 | — | — | WO | disclosed |