⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10080745 | 0.81 | SRC (0.31) | — | |
| SCHEMBL17195013 | 0.80 | — | — | |
| SCHEMBL2185976 | 0.79 | CXCR3 (0.30) | — | |
| SCHEMBL23115077 | 0.79 | — | — | |
| SCHEMBL7603719 | 0.79 | ACHE (0.34) | — | |
| SCHEMBL13412816 | 0.78 | ADORA2A (0.32) | — | |
| SCHEMBL10308906 | 0.76 | ATM (0.32) | — | |
| SCHEMBL17195015 | 0.76 | CXCR3 (0.30) | — | |
| SCHEMBL24994829 | 0.76 | CXCR3 (0.34) | — | |
| SCHEMBL17927443 | 0.75 | — | — |
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-112424321-B | Vapor phase corrosion inhibition | 路博润公司 | 2022-08-23 | — | — | CN | claimed |