⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3670247 | 0.76 | KDM4E (0.35) | — | |
| SCHEMBL1763358 | 0.76 | — | — | |
| SCHEMBL27294907 | 0.74 | — | — | |
| SCHEMBL10836151 | 0.74 | — | — | |
| SCHEMBL4181984 | 0.71 | ADRA1D (0.32) | — | |
| SCHEMBL10567380 | 0.69 | PTPN2 (0.31) | — | |
| SCHEMBL4164337 | 0.68 | DAO (0.59) | — | |
| SCHEMBL2225937 | 0.68 | CYP11B1 (0.45) | — | |
| SCHEMBL31438049 | 0.66 | CYP3A4 (0.38) | — | |
| SCHEMBL6815068 | 0.65 | — | — |
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-1956971-A | Novel fused heterocycles and application thereof | ASTRAZENECA AB (SE) | 2007-05-02 | — | — | CN | disclosed |