⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19875447 | 0.69 | — | — | |
| SCHEMBL12181713 | 0.69 | — | — | |
| SCHEMBL1007478 | 0.68 | — | — | |
| SCHEMBL20909 | 0.65 | — | — | |
| SCHEMBL29452940 | 0.65 | — | — | |
| SCHEMBL1007890 | 0.64 | — | — | |
| SCHEMBL1007994 | 0.64 | — | — | |
| SCHEMBL28884749 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL4087492 | 0.63 | ALDH1A1 (0.35) | — | |
| SCHEMBL28047875 | 0.62 | ALDH1A1 (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107295799-A | Parg inhibiting compounds | 癌症研究科技有限公司 | 2017-10-24 | — | — | CN | claimed |
| CN-107295799-A | Parg inhibiting compounds | 癌症研究科技有限公司 | 2017-10-24 | — | — | CN | disclosed |
| US-20110118236-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-05-19 | — | — | US | disclosed |
| EP-2269990-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2011-01-05 | — | — | EP | disclosed |