⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7213850 | 0.68 | NNMT (0.55) | — | |
| SCHEMBL27784213 | 0.67 | — | — | |
| SCHEMBL16195616 | 0.66 | NNMT (0.45) | — | |
| SCHEMBL25789869 | 0.66 | NNMT (0.57) | — | |
| SCHEMBL23648076 | 0.63 | — | — | |
| SCHEMBL1368910 | 0.62 | NNMT (0.35) | — | |
| SCHEMBL5733150 | 0.61 | — | — | |
| SCHEMBL21920874 | 0.61 | MAP4K1 (0.42) | — | |
| SCHEMBL12146400 | 0.60 | AKT1S1 (0.31) | — | |
| SCHEMBL21805767 | 0.59 | MAP4K1 (0.38) | — |
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-101778629-A | Substituted pyrrolopyridine and pyrazolopyridine compounds useful as kinase modulators | SGX PHARMACEUTICALS INC | 2010-07-14 | — | — | CN | disclosed |