⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28174621 | 0.73 | — | — | |
| SCHEMBL8046223 | 0.71 | — | — | |
| SCHEMBL17626967 | 0.69 | — | — | |
| SCHEMBL8678292 | 0.65 | — | — | |
| SCHEMBL8941562 | 0.65 | — | — | |
| SCHEMBL29024177 | 0.63 | — | — | |
| SCHEMBL28457006 | 0.63 | — | — | |
| Dichloropropane SCHEMBL74614 | 0.62 | — | — | |
| SCHEMBL27819483 | 0.62 | — | — | |
| Dichloropropane SCHEMBL28132838 | 0.62 | ALDH1A1 (0.37) | — |
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-109384929-A | A kind of organosilicon cross-linking agent and preparation method thereof containing polyhedral oligomeric silsesquioxane structure | 山东省科学院新材料研究所 | 2019-02-26 | — | — | CN | disclosed |
| CN-101775221-B | Heat curing silicone rubber crosslinked with polyamine compound and preparation method thereof | UNIV SHANDONG | 2012-06-27 | — | — | CN | disclosed |
| CN-101775221-A | Heat curing silicone rubber crosslinked with polyamine compound and preparation method thereof | UNIV SHANDONG | 2010-07-14 | — | — | CN | disclosed |