⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3392036 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL17664580 | 0.82 | — | — | |
| SCHEMBL96279 | 0.81 | — | — | |
| SCHEMBL11413659 | 0.78 | ECE1 (0.35) | — | |
| Acetamide SCHEMBL4103797 | 0.78 | LMNA (0.47) | — | |
| SCHEMBL23930432 | 0.76 | — | — | |
| SCHEMBL3377572 | 0.76 | — | — | |
| SCHEMBL20520329 | 0.76 | — | — | |
| SCHEMBL5755727 | 0.76 | — | — | |
| SCHEMBL96280 | 0.76 | — | — |
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-2009130231-A1 | PYRROLO [1, 2-A] PYRAZINE DERIVATIVES AS VASOPRESSIN VIB RECEPTOR ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2009-10-29 | — | — | WO | disclosed |