⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30605515 | 0.84 | ENPP1 (0.30) | — | |
| SCHEMBL24391763 | 0.84 | — | — | |
| SCHEMBL29588994 | 0.83 | — | — | |
| SCHEMBL29589571 | 0.83 | — | — | |
| SCHEMBL29589742 | 0.83 | — | — | |
| SCHEMBL29589422 | 0.82 | — | — | |
| SCHEMBL24391634 | 0.80 | — | — | |
| SCHEMBL24392540 | 0.80 | PDE2A (0.30) | — | |
| SCHEMBL24391629 | 0.77 | CA12 (0.33) | — | |
| SCHEMBL24391620 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022091048-A1 | ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE-1 (ENPP1) INHIBITORS AND USES THEREOF | INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) | 2022-05-05 | — | — | WO | disclosed |