⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4440517 | 0.83 | G6PD (0.31) | — | |
| SCHEMBL3631699 | 0.79 | APLNR (0.34) | — | |
| SCHEMBL20575 | 0.79 | MEN1 (0.39) | — | |
| SCHEMBL10253489 | 0.78 | MAPT (0.46) | — | |
| SCHEMBL4433058 | 0.78 | APLNR (0.43) | — | |
| SCHEMBL19315872 | 0.78 | ESR2 (0.33) | — | |
| SCHEMBL13668931 | 0.78 | ATP1A1 (0.31) | — | |
| SCHEMBL4443085 | 0.76 | — | — | |
| SCHEMBL256670 | 0.76 | — | — | |
| SCHEMBL16887677 | 0.74 | FFAR3 (0.50) | — |
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-20080287479-A1 | INHIBITORS OF SERINE PALMITOYLTRANSFERASE | PFIZER INC | 2008-11-20 | — | — | US | disclosed |