⚠ 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 | |
|---|---|---|---|---|
| Acetone SCHEMBL728794 | 0.94 | — | — | |
| Acetone SCHEMBL28916454 | 0.94 | LMNA (0.75) | — | |
| Acetone SCHEMBL28206046 | 0.89 | — | — | |
| Acetone SCHEMBL28679522 | 0.89 | — | — | |
| Acetone SCHEMBL28006906 | 0.89 | — | — | |
| Acetone SCHEMBL27871264 | 0.89 | — | — | |
| Acetone SCHEMBL28979774 | 0.89 | — | — | |
| Acetone SCHEMBL29096699 | 0.89 | — | — | |
| Acetone SCHEMBL28298390 | 0.89 | — | — | |
| Acetone SCHEMBL28362897 | 0.88 | LMNA (0.86) | — |
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-104974706-A | Polyurethane adhesive and preparation method thereof | SUZHOU POLYMER NEW MATERIALS TECHNOLOGY CO LTD | 2015-10-14 | — | — | CN | claimed |
| CN-110257129-A | A kind of preparation method of solid lubricant inlaid | 蒋辉 | 2019-09-20 | — | — | CN | disclosed |
| CN-104974706-A | Polyurethane adhesive and preparation method thereof | SUZHOU POLYMER NEW MATERIALS TECHNOLOGY CO LTD | 2015-10-14 | — | — | CN | disclosed |