⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23225722 | 0.70 | OPRM1 (0.32) | — | |
| SCHEMBL29878679 | 0.61 | EP300 (0.31) | — | |
| SCHEMBL29211250 | 0.61 | — | — | |
| SCHEMBL23225606 | 0.59 | OPRM1 (0.36) | — | |
| SCHEMBL29211252 | 0.57 | OPRM1 (0.31) | — | |
| SCHEMBL25565603 | 0.56 | ALDH1A1 (0.50) | — | |
| SCHEMBL11301771 | 0.56 | CHRNB2 (0.40) | — | |
| SCHEMBL29879712 | 0.56 | — | — | |
| SCHEMBL6273588 | 0.56 | LMNA (0.41) | — | |
| SCHEMBL23225608 | 0.55 | OPRM1 (0.40) | — |
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-2021072140-A1 | PRODRUGS OF MYELOPEROXIDASE INHIBITORS | BIOHAVEN THERAPEUTICS LTD. (US) | 2021-04-15 | — | — | WO | disclosed |