⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1644258 | 0.75 | — | — | |
| SCHEMBL21238735 | 0.74 | BRD4 (0.34) | — | |
| SCHEMBL18601312 | 0.73 | — | — | |
| SCHEMBL19393931 | 0.69 | KMT2A (0.35) | — | |
| SCHEMBL586833 | 0.68 | — | — | |
| SCHEMBL23645224 | 0.67 | GSK3A (0.46) | — | |
| SCHEMBL2606257 | 0.67 | — | — | |
| SCHEMBL2037670 | 0.63 | — | — | |
| SCHEMBL762723 | 0.63 | — | — | |
| SCHEMBL2049023 | 0.63 | — | — |
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-2416781-B1 | COMBINATION OF CYTIDINE-BASED ANTINEOPLASTIC DRUGS WITH CYTIDINE DEAMINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF CANCER | OTSUKA PHARMA CO LTD (JP) | 2017-03-08 | — | — | EP | disclosed |