⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27590521 | 0.71 | MEN1 (0.31) | — | |
| SCHEMBL27659878 | 0.67 | PARP1 (0.37) | — | |
| SCHEMBL754728 | 0.66 | BRD4 (0.38) | — | |
| SCHEMBL27701156 | 0.66 | MAPT (0.31) | — | |
| SCHEMBL27721773 | 0.66 | RET (0.31) | — | |
| SCHEMBL27735476 | 0.63 | ALDH1A1 (0.39) | — | |
| SCHEMBL27774969 | 0.63 | CNR2 (0.31) | — | |
| SCHEMBL27721875 | 0.63 | MAPT (0.37) | — | |
| SCHEMBL4982347 | 0.62 | KDM4E (0.33) | — | |
| SCHEMBL27344407 | 0.61 | CA12 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101379048-B | Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents | MITSUBISHI TANABE PHARMA CORP | 2012-03-21 | — | — | CN | disclosed |
| CN-101379048-A | Benzo oxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents | MITSUBISHI TANABE PHARMA CORP (JP) | 2009-03-04 | — | — | CN | disclosed |