⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28217759 | 0.88 | CCNB2 (0.30) | — | |
| SCHEMBL27488451 | 0.78 | — | — | |
| SCHEMBL3457711 | 0.75 | GABRA1 (0.42) | — | |
| SCHEMBL8767171 | 0.75 | IMPDH2 (0.41) | — | |
| SCHEMBL27822348 | 0.72 | POLB (0.33) | — | |
| SCHEMBL1395523 | 0.72 | SRD5A1 (0.38) | — | |
| SCHEMBL1783623 | 0.72 | — | — | |
| SCHEMBL28205549 | 0.72 | NPSR1 (0.30) | — | |
| SCHEMBL253039 | 0.71 | GABRA1 (0.41) | — | |
| SCHEMBL5616785 | 0.70 | CHEK1 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106133123-B | Lubricant oil composite | 捷客斯能源株式会社 | 2019-11-19 | — | — | CN | claimed |
| CN-106133123-B | Lubricant oil composite | 捷客斯能源株式会社 | 2019-11-19 | — | — | CN | disclosed |
| CN-105567397-B | Refrigerator oil and working fluid composition for refrigerating machine | 吉坤日矿日石能源株式会社 | 2019-03-08 | — | — | CN | disclosed |
| CN-106133123-A | Lubricant oil composite | 捷客斯能源株式会社 | 2016-11-16 | — | — | CN | disclosed |