⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11687550 | 0.81 | — | — | |
| SCHEMBL1070746 | 0.81 | GAA (0.46) | — | |
| SCHEMBL7713280 | 0.80 | GAA (0.55) | — | |
| SCHEMBL10943550 | 0.79 | — | — | |
| SCHEMBL7409425 | 0.77 | — | — | |
| SCHEMBL1579477 | 0.77 | — | — | |
| SCHEMBL11640899 | 0.77 | GAA (0.42) | — | |
| SCHEMBL8299466 | 0.77 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL555076 | 0.76 | — | — | |
| SCHEMBL10331892 | 0.75 | — | — |
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-101611008-A | C3A receptor modulators and methods of use thereof | ENCYSIVE PHARMACEUTICALS INC (US) | 2009-12-23 | — | — | CN | disclosed |