⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27901435 | 0.84 | — | — | |
| SCHEMBL27429562 | 0.78 | ADH1B (0.39) | — | |
| SCHEMBL1173840 | 0.77 | — | — | |
| SCHEMBL27710154 | 0.77 | — | — | |
| SCHEMBL28223039 | 0.76 | — | — | |
| SCHEMBL28016081 | 0.75 | FFAR4 (0.44) | — | |
| SCHEMBL28302878 | 0.75 | FFAR4 (0.44) | — | |
| SCHEMBL2470106 | 0.75 | — | — | |
| SCHEMBL17686810 | 0.74 | — | — | |
| SCHEMBL16268695 | 0.74 | — | — |
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-103360517-B | Highly -branched oily alkane polymer and its preparation method and application | 中国科学院上海有机化学研究所 | 2017-12-08 | — | — | CN | disclosed |
| CN-103360517-A | Highly branched oily alkane polymer, and preparation method and application thereof | SHANGHAI INST ORGANIC CHEM | 2013-10-23 | — | — | CN | disclosed |