⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27860843 | 0.82 | DPP8 (0.35) | — | |
| SCHEMBL906263 | 0.79 | FAAH (0.30) | — | |
| SCHEMBL11789709 | 0.78 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL2267592 | 0.77 | SLC7A5 (0.32) | — | |
| SCHEMBL1354877 | 0.76 | SLC1A3 (0.32) | — | |
| SCHEMBL11592266 | 0.74 | TSHR (0.40) | — | |
| SCHEMBL30539309 | 0.72 | MEN1 (0.35) | — | |
| SCHEMBL3681851 | 0.72 | MAPT (0.33) | — | |
| SCHEMBL5858203 | 0.72 | TSHR (0.40) | — | |
| SCHEMBL3555667 | 0.72 | GRIK1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110201657-A1 | AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2011-08-18 | — | — | US | disclosed |
| US-20090275619-A1 | Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2009-11-05 | — | — | US | disclosed |