⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3958621 | 0.85 | — | — | |
| SCHEMBL2575890 | 0.81 | — | — | |
| SCHEMBL12464442 | 0.79 | OPRM1 (0.31) | — | |
| SCHEMBL12389945 | 0.77 | — | — | |
| SCHEMBL15277097 | 0.75 | — | — | |
| SCHEMBL8266336 | 0.74 | — | — | |
| SCHEMBL10062257 | 0.72 | — | — | |
| SCHEMBL12389948 | 0.70 | — | — | |
| SCHEMBL90746 | 0.70 | PARP1 (0.32) | — | |
| SCHEMBL9073967 | 0.70 | DPP4 (0.31) | — |
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-2012025857-A1 | CYCLOALKYL METHOXYBENZYL PHENYL PYRAN DERIVATIVES AS SODIUM DEPENDENT GLUCOSE CO TRANSPORTER (SGLT2) INHIBITORS | HETERO RESEARCH FOUNDATION (IN) | 2012-03-01 | — | — | WO | disclosed |