⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9457941 | 0.76 | — | — | |
| SCHEMBL7523666 | 0.75 | — | — | |
| SCHEMBL1455212 | 0.74 | — | — | |
| SCHEMBL28434975 | 0.71 | TSHR (0.42) | — | |
| SCHEMBL36651 | 0.71 | — | — | |
| SCHEMBL6435011 | 0.71 | — | — | |
| Allyl Alcohol SCHEMBL28186067 | 0.70 | TSHR (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL6141048 | 0.69 | — | — | |
| Ethylene Glycol SCHEMBL21571470 | 0.69 | TSHR (0.40) | — | |
| SCHEMBL6437438 | 0.69 | — | — |
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-107033949-B | A kind of preparation method of Compositional type demulsifier for oil fields | 唐山东沅化工有限公司 | 2018-07-31 | — | — | CN | disclosed |
| CN-107033949-A | A kind of preparation method of Compositional type demulsifier for oil fields | 常州市阿曼特化工有限公司 | 2017-08-11 | — | — | CN | disclosed |