⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9901079 | 0.75 | GLP1R (0.36) | — | |
| SCHEMBL6304271 | 0.73 | GLP1R (0.54) | — | |
| SCHEMBL9904722 | 0.65 | KDM4E (0.35) | — | |
| SCHEMBL9900992 | 0.65 | RPS6KB2 (0.46) | — | |
| SCHEMBL9904572 | 0.64 | KMT2A (0.37) | — | |
| SCHEMBL9900096 | 0.64 | POLB (0.46) | — | |
| SCHEMBL9904673 | 0.64 | ADORA2A (0.35) | — | |
| SCHEMBL9925704 | 0.64 | — | — | |
| SCHEMBL9901190 | 0.63 | ALDH1A1 (0.40) | — | |
| SCHEMBL9900599 | 0.62 | — | — |
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 1 patent. 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 |