⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31363113 | 0.74 | FFAR2 (0.35) | — | |
| SCHEMBL31362984 | 0.74 | GAA (0.37) | — | |
| SCHEMBL31363012 | 0.70 | LMNA (0.34) | — | |
| SCHEMBL31362978 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL30919473 | 0.64 | NR3C1 (0.35) | — | |
| SCHEMBL31362970 | 0.64 | AKR1C3 (0.40) | — | |
| SCHEMBL30919497 | 0.64 | CETP (0.31) | — | |
| SCHEMBL31362992 | 0.63 | CETP (0.35) | — | |
| SCHEMBL30919506 | 0.60 | POLB (0.36) | — | |
| SCHEMBL31363017 | 0.56 | PYCR1 (0.42) | — |
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-2025033011-A1 | FIVE-MEMBERED HETEROARYL COMPOUND AND AGRICULTURAL AND HORTICULTURAL BACTERICIDE | 日本曹達株式会社 | 2025-02-13 | — | — | WO | disclosed |