⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6820171 | 0.86 | HMGCR (0.33) | — | |
| SCHEMBL8157636 | 0.83 | HMGCR (0.41) | — | |
| SCHEMBL10680539 | 0.76 | — | — | |
| SCHEMBL6852096 | 0.76 | — | — | |
| SCHEMBL3407393 | 0.74 | — | — | |
| SCHEMBL5166947 | 0.72 | — | — | |
| SCHEMBL1741550 | 0.70 | — | — | |
| SCHEMBL292227 | 0.69 | — | — | |
| SCHEMBL6018357 | 0.69 | — | — | |
| SCHEMBL5655040 | 0.68 | TSHR (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-105611930-A | Spiro-quinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death | HELMHOLTZ ZENTRUM MUNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) | 2016-05-25 | — | — | CN | disclosed |
| EP-2074106-B1 | DIBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 | MYLAN LAB LTD (IN) | 2013-04-17 | — | — | EP | disclosed |
| WO-2009147476-A1 | NOVEL PDE INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION | MATRIX LABORATORIES LTD. (IN) | 2009-12-10 | — | — | WO | disclosed |
| EP-0995742-A1 | SULFONAMIDE COMPOUNDS AND MEDICINAL USE THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2000-04-26 | — | — | EP | disclosed |