⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19003826 | 0.86 | CYP1A2 (0.36) | — | |
| SCHEMBL28234773 | 0.62 | CYP2C19 (0.36) | — | |
| SCHEMBL23909033 | 0.62 | — | — | |
| SCHEMBL22806764 | 0.61 | HSD11B1 (0.31) | — | |
| SCHEMBL25285720 | 0.60 | SLC1A2 (0.37) | — | |
| SCHEMBL14436194 | 0.60 | FFAR3 (0.33) | — | |
| SCHEMBL3420703 | 0.60 | CYP2C19 (0.38) | — | |
| SCHEMBL19874190 | 0.60 | FFAR3 (0.38) | — | |
| SCHEMBL21601788 | 0.59 | GRM2 (0.46) | — | |
| SCHEMBL5162261 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170174672-A1 | FUSED (HETERO)CYCLIC COMPOUNDS AS S1P MODULATORS | AbbVie Deutschland GmbH & Co. KG (DE) | 2017-06-22 | — | — | US | disclosed |