⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31582650 | 0.83 | SLC16A3 (0.34) | — | |
| SCHEMBL31582533 | 0.76 | NR3C1 (0.31) | — | |
| SCHEMBL31383759 | 0.75 | NR3C1 (0.35) | — | |
| SCHEMBL31582665 | 0.72 | MTNR1A (0.34) | — | |
| SCHEMBL31583219 | 0.72 | LMNA (0.35) | — | |
| SCHEMBL31582981 | 0.71 | LMNA (0.36) | — | |
| SCHEMBL31582655 | 0.71 | LMNA (0.33) | — | |
| SCHEMBL31582472 | 0.69 | JAK2 (0.34) | — | |
| SCHEMBL31583019 | 0.69 | — | — | |
| SCHEMBL31582842 | 0.69 | KDM4E (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-2025106644-A1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ALPHA-V BETA-1 INTEGRIN | MORPHIC THERAPEUTIC, INC. (US) | 2025-05-22 | — | — | WO | disclosed |