⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8190611 | 0.72 | — | — | |
| SCHEMBL6037527 | 0.72 | — | — | |
| SCHEMBL8022546 | 0.72 | TDP1 (0.30) | — | |
| SCHEMBL8022550 | 0.72 | TDP1 (0.30) | — | |
| SCHEMBL127087 | 0.69 | — | — | |
| SCHEMBL26604199 | 0.69 | — | — | |
| SCHEMBL2807187 | 0.67 | — | — | |
| SCHEMBL4203488 | 0.67 | — | — | |
| SCHEMBL996553 | 0.67 | — | — | |
| SCHEMBL11070954 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103917231-B | Combination formulations of histone deacetylase inhibitor and bendamustine and application thereof | 药品循环有限责任公司 | 2016-09-28 | — | — | CN | disclosed |