⚠ 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 | |
|---|---|---|---|---|
| Ethylamine SCHEMBL48047 | 0.95 | — | — | |
| Ethylamine SCHEMBL28330319 | 0.91 | — | — | |
| Ethylamine SCHEMBL28225278 | 0.91 | — | — | |
| Ethylamine SCHEMBL28351216 | 0.91 | — | — | |
| Ethylamine SCHEMBL28242175 | 0.87 | — | — | |
| Ethylamine SCHEMBL4297060 | 0.80 | — | — | |
| Propylamine SCHEMBL6305385 | 0.78 | — | — | |
| Ethylamine SCHEMBL11705226 | 0.78 | DNM1 (0.30) | — | |
| Ethylamine SCHEMBL4363313 | 0.78 | DNM1 (0.30) | — | |
| Ethylamine SCHEMBL7094676 | 0.78 | DNM1 (0.30) | — |
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-105273412-B | The anti-rubber plastizing agent and preparation method thereof of moving out of one kind | 北京化工大学 | 2017-07-28 | — | — | CN | disclosed |
| CN-105273412-A | Emigration-preventing rubber plasticizer and preparation method thereof | UNIV BEIJING CHEMICAL | 2016-01-27 | — | — | CN | disclosed |