⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6443916 | 0.84 | — | — | |
| SCHEMBL29163002 | 0.78 | KCNH2 (0.35) | — | |
| SCHEMBL8441768 | 0.76 | GABRP (0.41) | — | |
| SCHEMBL28274985 | 0.73 | — | — | |
| SCHEMBL5702881 | 0.73 | — | — | |
| SCHEMBL240583 | 0.69 | — | — | |
| SCHEMBL241799 | 0.69 | — | — | |
| SCHEMBL6722509 | 0.68 | KDM4E (0.44) | — | |
| SCHEMBL41216 | 0.68 | — | — | |
| SCHEMBL745687 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2008041037-A1 | FUSED INDOLES AND INDAZOLES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2008-04-10 | — | — | WO | disclosed |