⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL180344 | 0.97 | — | — | |
| SCHEMBL21689948 | 0.97 | — | — | |
| SCHEMBL17029401 | 0.97 | — | — | |
| Water SCHEMBL11414438 | 0.95 | — | — | |
| Ethylene SCHEMBL3909096 | 0.92 | — | — | |
| SCHEMBL9485430 | 0.86 | SMN1; SMN2 (0.31) | — | |
| Acetic Acid SCHEMBL9394857 | 0.86 | CTRB1 (0.33) | — | |
| SCHEMBL12479225 | 0.85 | — | — | |
| SCHEMBL11589743 | 0.83 | — | — | |
| Acrylic Acid SCHEMBL11801961 | 0.81 | LMNA (0.39) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108441161-A | A kind of bi-component solvent-free reaction type polyurethane hot melt adhesive and its application method applied to textile industry | 广东华粘新材料研究有限公司 | 2018-08-24 | — | — | CN | claimed |
| CN-108441161-A | A kind of bi-component solvent-free reaction type polyurethane hot melt adhesive and its application method applied to textile industry | 广东华粘新材料研究有限公司 | 2018-08-24 | — | — | CN | disclosed |