⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23218019 | 0.97 | OPRM1 (0.32) | — | |
| SCHEMBL27103673 | 0.94 | — | — | |
| SCHEMBL27144508 | 0.87 | — | — | |
| SCHEMBL23217963 | 0.85 | POLB (0.38) | — | |
| SCHEMBL23225706 | 0.80 | POLB (0.34) | — | |
| SCHEMBL23225714 | 0.80 | OPRM1 (0.48) | — | |
| SCHEMBL23225604 | 0.78 | MPO (0.35) | — | |
| SCHEMBL27103572 | 0.76 | OPRM1 (0.32) | — | |
| SCHEMBL27102076 | 0.75 | KDM4E (0.31) | — | |
| SCHEMBL23225722 | 0.75 | OPRM1 (0.32) | — |
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 |