⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL692743 | 0.79 | — | — | |
| SCHEMBL28966873 | 0.78 | — | — | |
| SCHEMBL5544830 | 0.75 | — | — | |
| SCHEMBL2820358 | 0.74 | — | — | |
| SCHEMBL30502893 | 0.73 | — | — | |
| SCHEMBL27978496 | 0.72 | — | — | |
| SCHEMBL14510772 | 0.71 | NOS1 (0.35) | — | |
| SCHEMBL17234239 | 0.71 | NOS1 (0.35) | — | |
| SCHEMBL14510740 | 0.71 | NOS1 (0.35) | — | |
| SCHEMBL8352247 | 0.71 | LDHA (0.50) | — |
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-122036225-A | Environment-friendly curing agent for phosphogypsum roadbed material and preparation method thereof | 湖北省交通规划设计院股份有限公司 | 2026-05-15 | — | — | CN | disclosed |