⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14206191 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL25382328 | 0.58 | — | — | |
| SCHEMBL7669150 | 0.52 | ALDH1A1 (0.34) | — | |
| SCHEMBL1994322 | 0.51 | — | — | |
| SCHEMBL9423413 | 0.47 | — | — | |
| SCHEMBL7514481 | 0.46 | — | — | |
| SCHEMBL7305311 | 0.45 | — | — | |
| SCHEMBL497924 | 0.43 | — | — | |
| SCHEMBL663411 | 0.43 | — | — | |
| SCHEMBL1993425 | 0.41 | MAPK1 (0.43) | — |
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-109503587-A | The antitumor action of double heterocycle ribavirin analogs and application | 辽宁利锋科技开发有限公司 | 2019-03-22 | — | — | CN | disclosed |