⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25045616 | 0.83 | — | — | |
| SCHEMBL15290670 | 0.80 | CYP2C19 (0.35) | — | |
| SCHEMBL8877237 | 0.76 | PNMT (0.36) | — | |
| SCHEMBL404362 | 0.69 | CYP2C19 (0.42) | — | |
| SCHEMBL16079383 | 0.69 | KDM4E (0.45) | — | |
| SCHEMBL15127493 | 0.67 | KDM4E (0.44) | — | |
| SCHEMBL24460018 | 0.67 | KRAS (0.45) | — | |
| SCHEMBL13185363 | 0.64 | PIK3CA (0.31) | — | |
| SCHEMBL13890073 | 0.64 | PIK3CA (0.38) | — | |
| SCHEMBL21952933 | 0.63 | LIMK1 (0.37) | — |
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-20230183239-A1 | ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF | ABBVIE INC (US) | 2023-06-15 | — | — | US | disclosed |