⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3699372 | 0.81 | PTPN1 (0.36) | — | |
| SCHEMBL1352578 | 0.79 | PTPN1 (0.40) | — | |
| SCHEMBL1352579 | 0.79 | PTPN1 (0.40) | — | |
| SCHEMBL23934934 | 0.78 | NR1I2 (0.33) | — | |
| SCHEMBL18386516 | 0.78 | — | — | |
| SCHEMBL6357832 | 0.78 | — | — | |
| SCHEMBL18978719 | 0.78 | — | — | |
| SCHEMBL6357830 | 0.78 | — | — | |
| SCHEMBL9378108 | 0.78 | — | — | |
| SCHEMBL3368943 | 0.78 | — | — |
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-105793217-B | Olefins process | 鲁姆斯科技公司 | 2019-05-31 | — | — | CN | disclosed |
| CN-105793217-A | Olefin conversion process | 鲁姆斯科技公司 | 2016-07-20 | — | — | CN | disclosed |