⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9850853 | 1.00 | — | — | |
| SCHEMBL9850764 | 0.94 | EPHX2 (0.30) | — | |
| SCHEMBL9850845 | 0.90 | EPHX2 (0.35) | — | |
| SCHEMBL9850832 | 0.89 | FAAH (0.35) | — | |
| SCHEMBL9850829 | 0.88 | — | — | |
| SCHEMBL9850833 | 0.87 | FAAH (0.37) | — | |
| SCHEMBL9850732 | 0.85 | EPHX2 (0.36) | — | |
| SCHEMBL9850607 | 0.83 | DNM1 (0.35) | — | |
| SCHEMBL9850737 | 0.80 | EPHX2 (0.33) | — | |
| SCHEMBL9850811 | 0.78 | FAAH (0.36) | — |
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-2016073891-A1 | SUBSTITUTED PYRROLO[1,2-A]PYRIMIDINES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS | LYSOSOMAL THERAPEUTICS INC. (US) | 2016-05-12 | — | — | WO | disclosed |