⚠ 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 | |
|---|---|---|---|---|
| Acrylic Acid SCHEMBL6265355 | 1.00 | LMNA (0.56) | — | |
| Hexamethylbenzene SCHEMBL27890316 | 0.91 | LMNA (0.46) | — | |
| Acrylic Acid SCHEMBL27887909 | 0.91 | LMNA (0.46) | — | |
| Acrylic Acid SCHEMBL9152411 | 0.88 | — | — | |
| Acrylic Acid SCHEMBL7714528 | 0.87 | LMNA (0.48) | — | |
| Acrylic Acid SCHEMBL9901130 | 0.87 | LMNA (0.48) | — | |
| Acrylic Acid SCHEMBL18422907 | 0.87 | LMNA (0.48) | — | |
| Dodecane SCHEMBL28196202 | 0.87 | DNM1 (0.46) | — | |
| Acrylic Acid SCHEMBL30422733 | 0.86 | LMNA (0.59) | — | |
| Acrylic Acid SCHEMBL8622782 | 0.85 | DNM1 (0.52) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113069929-B | Process for alleviating pollution of filter membrane by adding hydrophobic modified conditioner in membrane filtration process | 南京师范大学 | 2022-11-18 | — | — | CN | claimed |
| CN-1142507-A | Aqueous polymer emulsion | BASF AG (DE) | 1997-02-12 | — | — | CN | disclosed |
| CN-1137531-A | Aqueous polymer emulsion | BASF AG (DE) | 1996-12-11 | — | — | CN | disclosed |