⚠ 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL27469096 | 0.78 | — | — | |
| Hexane SCHEMBL971233 | 0.75 | TSHR (0.58) | — | |
| Propane SCHEMBL10639899 | 0.72 | — | — | |
| Propane SCHEMBL10956924 | 0.71 | TSHR (0.43) | — | |
| Propane SCHEMBL1021 | 0.71 | — | — | |
| Propane SCHEMBL9246294 | 0.71 | — | — | |
| SCHEMBL1990881 | 0.71 | — | — | |
| SCHEMBL22050 | 0.71 | — | — | |
| Propane SCHEMBL286506 | 0.71 | — | — | |
| Propane SCHEMBL9248656 | 0.71 | TSHR (0.43) | — |
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-106315732-A | Magnetic ion liquid micro-emulsion extraction agent for treating printing and dyeing wastewater | 鲁东大学 | 2017-01-11 | — | — | CN | claimed |
| CN-109320638-A | Internal electron donor, catalytic component and the catalyst of ethylene polymerization Ziegler-Natta catalyst | 四川锦成化学催化剂有限公司 | 2019-02-12 | — | — | CN | disclosed |
| CN-108084305-A | Ethylene polymerization solid titanium catalyst component, preparation method thereof and ethylene polymerization solid titanium catalyst | 中国石油天然气股份有限公司 | 2018-05-29 | — | — | CN | disclosed |
| CN-106315732-A | Magnetic ion liquid micro-emulsion extraction agent for treating printing and dyeing wastewater | 鲁东大学 | 2017-01-11 | — | — | CN | disclosed |