⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15693873 | 0.78 | PRKCA (0.31) | — | |
| SCHEMBL11109950 | 0.77 | — | — | |
| SCHEMBL27399856 | 0.77 | — | — | |
| SCHEMBL11112090 | 0.76 | — | — | |
| SCHEMBL4494884 | 0.74 | — | — | |
| SCHEMBL18194366 | 0.74 | — | — | |
| SCHEMBL11112094 | 0.74 | — | — | |
| SCHEMBL30549092 | 0.73 | MAPK1 (0.39) | — | |
| SCHEMBL6379125 | 0.67 | — | — | |
| SCHEMBL25111744 | 0.67 | CHRM1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5663398-A | Processes for preparing functionalized alkyllithium compounds | FMC CORPORATION (US) | 1997-09-02 | — | — | US | claimed |