⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9904722 | 0.81 | KDM4E (0.35) | — | |
| SCHEMBL9900096 | 0.79 | POLB (0.46) | — | |
| SCHEMBL9900932 | 0.77 | CSNK1A1 (0.33) | — | |
| SCHEMBL9904673 | 0.65 | ADORA2A (0.35) | — | |
| SCHEMBL9901079 | 0.62 | GLP1R (0.36) | — | |
| SCHEMBL9925837 | 0.62 | — | — | |
| SCHEMBL3554990 | 0.60 | L3MBTL1 (0.44) | — | |
| SCHEMBL8025738 | 0.59 | KDM4E (0.42) | — | |
| SCHEMBL11836589 | 0.56 | NPSR1 (0.35) | — | |
| SCHEMBL9900992 | 0.54 | RPS6KB2 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012076966-A1 | SUBSTITUTED THIENO [3,4-B] PYRAZINE COMPOUNDS | LUPIN LIMITED (IN) | 2012-06-14 | — | — | WO | disclosed |
| WO-2012076966-A1 | SUBSTITUTED THIENO [3,4-B] PYRAZINE COMPOUNDS | LUPIN LIMITED (IN) | 2012-06-14 | — | — | WO | disclosed |