⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20934668 | 0.85 | ASGR1 (0.30) | — | |
| SCHEMBL24466689 | 0.69 | ASGR1 (0.33) | — | |
| SCHEMBL21023375 | 0.68 | KMT2A (0.30) | — | |
| SCHEMBL11224012 | 0.67 | KDM4E (0.37) | — | |
| SCHEMBL16118629 | 0.67 | KDM4E (0.37) | — | |
| SCHEMBL31493439 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL31424442 | 0.64 | — | — | |
| SCHEMBL16118626 | 0.62 | GAA (0.44) | — | |
| SCHEMBL31637495 | 0.61 | ALDH1A1 (0.35) | — | |
| SCHEMBL20475966 | 0.60 | EPHX1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-119431365-A | Phenyl heterocyclic derivative-containing regulator and preparation method and application thereof | 江苏豪森药业集团有限公司 | 2025-02-14 | — | — | CN | disclosed |