⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19733097 | 0.87 | MEN1 (0.44) | — | |
| SCHEMBL2801728 | 0.83 | — | — | |
| SCHEMBL14140319 | 0.82 | — | — | |
| SCHEMBL13369384 | 0.82 | — | — | |
| SCHEMBL157045 | 0.80 | — | — | |
| SCHEMBL1003837 | 0.78 | — | — | |
| SCHEMBL4790448 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL13771050 | 0.78 | — | — | |
| SCHEMBL23137027 | 0.76 | — | — | |
| SCHEMBL8391098 | 0.76 | TDP1 (0.35) | — |
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-104744630-B | A kind of hydrophobically modified oil base reversed-phase emulsion Low Damage hydraulic fracturing drag reducer | 长江大学 | 2017-07-07 | — | — | CN | disclosed |
| US-4808443-A | COATING THIN FILM ON WET SURFACE RIGHT AFTER PRINTING | SAKATA SHOKAI, LTD. (JP) | 1989-02-28 | — | — | US | disclosed |