⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13827137 | 0.70 | — | — | |
| SCHEMBL22337585 | 0.67 | NOS3 (0.30) | — | |
| SCHEMBL12439405 | 0.59 | — | — | |
| SCHEMBL6693495 | 0.58 | — | — | |
| SCHEMBL14473373 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL6906044 | 0.56 | — | — | |
| SCHEMBL14473310 | 0.56 | — | — | |
| SCHEMBL14473372 | 0.56 | — | — | |
| SCHEMBL4627828 | 0.56 | — | — | |
| SCHEMBL31448394 | 0.55 | — | — |
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-2021249893-A1 | NOVEL IMIDAZO-PYRAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2021-12-16 | — | — | WO | disclosed |
| WO-2017036978-A1 | FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS | ABBVIE INC. (US) | 2017-03-09 | — | — | WO | disclosed |