⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11746112 | 0.82 | MMP8 (0.34) | — | |
| SCHEMBL10780603 | 0.78 | MAPK1 (0.31) | — | |
| SCHEMBL20499832 | 0.77 | MMP8 (0.32) | — | |
| SCHEMBL8993591 | 0.76 | — | — | |
| SCHEMBL21052315 | 0.76 | GAA (0.40) | — | |
| SCHEMBL11128491 | 0.70 | — | — | |
| SCHEMBL4429513 | 0.70 | ALDH1A1 (0.36) | — | |
| SCHEMBL544329 | 0.70 | TSHR (0.33) | — | |
| SCHEMBL5073286 | 0.69 | MIF (0.33) | — | |
| SCHEMBL4759312 | 0.69 | PIK3CD (0.33) | — |
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-105885816-B | Pressure break drag reducer | 黑龙江勇峰化工添加剂有限公司 | 2018-06-01 | — | — | CN | disclosed |
| CN-105885816-A | Novel drag reducer for fracturing | 黑龙江勇峰化工添加剂有限公司 | 2016-08-24 | — | — | CN | disclosed |