⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20794657 | 0.84 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL4105459 | 0.71 | SIGMAR1 (0.46) | — | |
| SCHEMBL15552632 | 0.70 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL30696122 | 0.70 | — | — | |
| SCHEMBL30696121 | 0.70 | — | — | |
| SCHEMBL10189545 | 0.68 | — | — | |
| SCHEMBL11326701 | 0.67 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL26349655 | 0.67 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL24001175 | 0.66 | — | — | |
| SCHEMBL25043774 | 0.64 | TSHR (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-2009085584-A1 | 6H-DIBENZ0 [B, E] OXEPINE DERIVED NONSTEROIDAL MINERALOCORTICOID RECEPTOR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2009-07-09 | — | — | WO | disclosed |