⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9522246 | 0.79 | NOS2 (0.36) | — | |
| SCHEMBL8411539 | 0.77 | SLC6A3 (0.36) | — | |
| SCHEMBL5475612 | 0.76 | — | — | |
| SCHEMBL14738505 | 0.75 | — | — | |
| SCHEMBL22915204 | 0.75 | — | — | |
| SCHEMBL23041676 | 0.75 | — | — | |
| SCHEMBL2882789 | 0.75 | — | — | |
| SCHEMBL16292324 | 0.75 | — | — | |
| SCHEMBL14739011 | 0.75 | — | — | |
| SCHEMBL14738884 | 0.75 | — | — |
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-105585646-A | Linear poly(1,3-pentadiene) having low allyl content and narrow molecular weight distribution and preparing method thereof | CHINA PETROLEUM & CHEM CORP | 2016-05-18 | — | — | CN | claimed |
| CN-105585646-A | Linear poly(1,3-pentadiene) having low allyl content and narrow molecular weight distribution and preparing method thereof | CHINA PETROLEUM & CHEM CORP | 2016-05-18 | — | — | CN | disclosed |