⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25752694 | 0.78 | — | — | |
| SCHEMBL22527401 | 0.69 | PIK3CD (0.31) | — | |
| SCHEMBL23177879 | 0.68 | — | — | |
| SCHEMBL14063426 | 0.65 | LMNA (0.30) | — | |
| SCHEMBL24847332 | 0.64 | MMP1 (0.32) | — | |
| SCHEMBL18513205 | 0.63 | PIK3CD (0.31) | — | |
| SCHEMBL27013740 | 0.63 | MMP8 (0.40) | — | |
| SCHEMBL22664270 | 0.63 | — | — | |
| SCHEMBL22060199 | 0.63 | MEN1 (0.46) | — | |
| SCHEMBL20974458 | 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 |
|---|---|---|---|---|---|---|---|
| US-20230002387-A1 | 2-AMINO-S6-SUBSTITUTED THIOPURINE COMPOUNDS AS INHIBITORS OF THE ENPP1 PROTEIN | ATEN PORUS LIFESCIENCES PVT. LTD. (IN) | 2023-01-05 | — | — | US | disclosed |