⚠ 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 | |
|---|---|---|---|---|
| Methane SCHEMBL296176 | 1.00 | — | — | |
| Methane SCHEMBL9551799 | 1.00 | — | — | |
| Methane SCHEMBL930433 | 0.82 | — | — | |
| Methane SCHEMBL11047819 | 0.82 | — | — | |
| Methane SCHEMBL7147645 | 0.82 | — | — | |
| Methane SCHEMBL11308109 | 0.82 | — | — | |
| Methane SCHEMBL8321806 | 0.82 | — | — | |
| SCHEMBL3469305 | 0.71 | — | — | |
| Methane SCHEMBL12971541 | 0.71 | — | — | |
| Methane SCHEMBL10810215 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108271778-A | Agricultural agent, the application for including the product of the agricultural agent and the agricultural agent | 江西迈格威新材料有限公司 | 2018-07-13 | — | — | CN | disclosed |
| CN-102893988-B | Diethyl aminoethyl hexanoate mineral oil missible oil composition and application | KUNSHAN DAIQUAN TRADING CO LTD | 2015-03-25 | — | — | CN | disclosed |
| CN-102893988-A | Diethyl aminoethyl hexanoate mineral oil missible oil composition and application | KUNSHAN DAIQUAN TRADING CO LTD | 2013-01-30 | — | — | CN | disclosed |