⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4771772 | 1.00 | — | — | |
| SCHEMBL27584672 | 0.80 | CHRNB2 (0.40) | — | |
| SCHEMBL28643823 | 0.72 | — | — | |
| SCHEMBL8122200 | 0.72 | — | — | |
| SCHEMBL386334 | 0.72 | — | — | |
| SCHEMBL15577373 | 0.71 | — | — | |
| SCHEMBL6960677 | 0.71 | CHRNB2 (0.39) | — | |
| SCHEMBL9151103 | 0.66 | CHRNB2 (0.56) | — | |
| SCHEMBL9151117 | 0.66 | CHRNB2 (0.56) | — | |
| SCHEMBL9151108 | 0.66 | CHRNB2 (0.56) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2007733-B1 | AMIDE SUBSTITUTED INDAZOLE AND BENZOTRIAZOLE DERIVATIVES AS POLY(ADP-RIBOSE)POLYMERASE (PARP) INHIBITORS | MSD ITALIA SRL (IT) | 2016-05-25 | — | — | EP | disclosed |
| 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 |