⚠ 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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL8120188 | 0.96 | — | — | |
| SCHEMBL27736904 | 0.88 | — | — | |
| Ethane SCHEMBL28290798 | 0.84 | — | — | |
| SCHEMBL817483 | 0.83 | TP53 (0.33) | — | |
| SCHEMBL296842 | 0.83 | TP53 (0.33) | — | |
| SCHEMBL817366 | 0.83 | TP53 (0.33) | — | |
| SCHEMBL817643 | 0.83 | TP53 (0.33) | — | |
| SCHEMBL952473 | 0.83 | TP53 (0.33) | — | |
| SCHEMBL816678 | 0.83 | TP53 (0.33) | — | |
| Water SCHEMBL11313706 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2588480-A2 | 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF& xA; | SANOFI (FR) | 2013-05-08 | — | — | EP | disclosed |
| WO-2011161537-A2 | 3,4-DIHYDROPYRROLO[1,2-A]PYRAZINE-2,8(1H)-DICARBOXAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2011-12-29 | — | — | WO | disclosed |