⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20014766 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL21175235 | 0.84 | — | — | |
| SCHEMBL31424491 | 0.76 | — | — | |
| SCHEMBL21183608 | 0.76 | GRM2 (0.32) | — | |
| SCHEMBL26900991 | 0.76 | GRM2 (0.32) | — | |
| SCHEMBL20015130 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL21175198 | 0.75 | GRM2 (0.31) | — | |
| SCHEMBL20015128 | 0.75 | F12 (0.33) | — | |
| Hydrochloric Acid SCHEMBL21175370 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL21175113 | 0.74 | F12 (0.33) | — |
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 |