⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17992106 | 0.89 | POLB (0.32) | — | |
| SCHEMBL17757094 | 0.88 | — | — | |
| SCHEMBL17992079 | 0.88 | ACAT2 (0.37) | — | |
| SCHEMBL17992099 | 0.88 | LMNA (0.32) | — | |
| SCHEMBL17992070 | 0.87 | — | — | |
| SCHEMBL19523265 | 0.86 | NPR1 (0.34) | — | |
| SCHEMBL17758047 | 0.84 | GAA (0.39) | — | |
| SCHEMBL17757390 | 0.84 | HDAC3 (0.34) | — | |
| SCHEMBL17758071 | 0.84 | CCNB2 (0.30) | — | |
| SCHEMBL17757085 | 0.84 | ACAT2 (0.38) | — |
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-9802956-B2 | Spiroquinoxaline derivatives as inhibitors of non-apoptotic regulated cell-death | HELMHOLTZ ZENTRUM MUNCHEN-DEUTSCHES FORSCHUNGSZENTRUM FUR GESUNDHEIT UND UMWELT (GMBH) (DE) | 2017-10-31 | — | — | US | disclosed |
| US-20160222025-A1 | SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | HELMHOLTZ ZENTRUM MUNCHEN (DE) | 2016-08-04 | — | — | US | disclosed |