⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5697651 | 0.79 | — | — | |
| SCHEMBL4782096 | 0.79 | — | — | |
| SCHEMBL4109806 | 0.79 | — | — | |
| SCHEMBL26104356 | 0.73 | — | — | |
| SCHEMBL18599154 | 0.73 | — | — | |
| SCHEMBL4859442 | 0.73 | — | — | |
| SCHEMBL12115727 | 0.71 | — | — | |
| SCHEMBL9545225 | 0.69 | — | — | |
| SCHEMBL2864468 | 0.67 | — | — | |
| SCHEMBL17383915 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109943004-A | A kind of preparation method of butadiene rubber composite material | 郭迎庆 | 2019-06-28 | — | — | CN | disclosed |
| CN-107428024-A | Sheet producing device and method of producing sheet | 精工爱普生株式会社 | 2017-12-01 | — | — | CN | disclosed |
| WO-2004113290-A1 | SUBSTITUTED ALKYLAMIDES | BAYER HEALTHCARE AG (DE) | 2004-12-29 | — | — | WO | disclosed |
| CN-1046893-A | PROCESS FOR PREPARATION OF 2-CYCLOHEXYL CARBOXYLATES | RHONE POULENC CHIMIE (FR) | 1990-11-14 | — | — | CN | disclosed |