⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7448349 | 0.97 | — | — | |
| SCHEMBL30189623 | 0.95 | CYP1A2 (0.31) | — | |
| SCHEMBL30189652 | 0.93 | CYP1A2 (0.34) | — | |
| SCHEMBL30189693 | 0.93 | CYP1A2 (0.34) | — | |
| SCHEMBL7453882 | 0.92 | CYP1A2 (0.32) | — | |
| SCHEMBL30189746 | 0.90 | CYP1A2 (0.36) | — | |
| SCHEMBL30189547 | 0.90 | CYP1A2 (0.36) | — | |
| SCHEMBL30189486 | 0.90 | CYP1A2 (0.36) | — | |
| SCHEMBL7643953 | 0.90 | CYP1A2 (0.36) | — | |
| SCHEMBL30189654 | 0.90 | CYP1A2 (0.31) | — |
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-104558338-A | Preparation method of propene polymer for PPR pipes | CHINA PETROLEUM & CHEMICAL | 2015-04-29 | — | — | CN | claimed |
| CN-104558338-A | Preparation method of propene polymer for PPR pipes | CHINA PETROLEUM & CHEMICAL | 2015-04-29 | — | — | CN | disclosed |