⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14979260 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL707322 | 0.68 | KDM4E (0.46) | — | |
| SCHEMBL1740405 | 0.57 | KDM4E (0.35) | — | |
| SCHEMBL23111145 | 0.55 | GRM5 (0.62) | — | |
| SCHEMBL899509 | 0.55 | USP28 (0.43) | — | |
| SCHEMBL13726496 | 0.55 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL4140567 | 0.55 | SCN10A (0.43) | — | |
| SCHEMBL13538295 | 0.55 | CYP11B2 (0.45) | — | |
| SCHEMBL3155087 | 0.54 | CTNNB1 (0.31) | — | |
| SCHEMBL5253945 | 0.54 | MEN1 (0.32) | — |
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-2389379-A1 | Poly (ADP-Ribose) Polymerase (PARP) Inhibitors | Takeda Pharmaceutical Company Limited (JP) | 2011-11-30 | — | — | EP | claimed |
| WO-2010085570-A1 | Poly (ADP-Ribose) Polymerase (PARP) Inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-07-29 | — | — | WO | claimed |