⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17757144 | 0.85 | CCNT1 (0.33) | — | |
| SCHEMBL21982520 | 0.84 | — | — | |
| SCHEMBL17757137 | 0.83 | — | — | |
| SCHEMBL17757502 | 0.81 | CCNT1 (0.38) | — | |
| SCHEMBL17757659 | 0.80 | CCNT1 (0.40) | — | |
| SCHEMBL17757674 | 0.80 | HRH4 (0.31) | — | |
| SCHEMBL17757139 | 0.79 | CDK2 (0.41) | — | |
| SCHEMBL17757143 | 0.79 | MAPK7 (0.34) | — | |
| SCHEMBL21982511 | 0.78 | HRH4 (0.42) | — | |
| SCHEMBL17757676 | 0.78 | KCNK2 (0.31) | — |
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-10647687-B2 | Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death | HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) | 2020-05-12 | — | — | US | disclosed |
| WO-2016075137-A1 | SPIROPYRAZINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2016-05-19 | — | — | WO | disclosed |