⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16403776 | 0.73 | DPP4 (0.36) | — | |
| SCHEMBL14157439 | 0.71 | CA12 (0.33) | — | |
| SCHEMBL27762537 | 0.71 | DPP4 (0.36) | — | |
| SCHEMBL28963986 | 0.71 | DPP4 (0.39) | — | |
| SCHEMBL6554085 | 0.67 | SPR (0.32) | — | |
| SCHEMBL1006759 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL22408712 | 0.66 | APLNR (0.36) | — | |
| SCHEMBL7345868 | 0.65 | POLB (0.31) | — | |
| SCHEMBL21491220 | 0.65 | CA12 (0.32) | — | |
| SCHEMBL2771480 | 0.65 | ADRB3 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101331115-A | Derivatives for modulating ion channels | VERTEX PHARMA (US) | 2008-12-24 | — | — | CN | disclosed |