⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5419242 | 0.87 | — | — | |
| SCHEMBL15143 | 0.87 | — | — | |
| SCHEMBL23451785 | 0.80 | — | — | |
| SCHEMBL5411439 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL5934579 | 0.67 | — | — | |
| Trimethylammonium SCHEMBL9232073 | 0.62 | — | — | |
| SCHEMBL7474620 | 0.62 | — | — | |
| SCHEMBL7641765 | 0.62 | — | — | |
| SCHEMBL8434 | 0.61 | — | — | |
| SCHEMBL8585535 | 0.61 | — | — |
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-104784695-A | Method of using PI3K and MEK modulators | EXELIXIS INC | 2015-07-22 | — | — | CN | claimed |