⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL68915 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL2807157 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL1865084 | 0.72 | — | — | |
| SCHEMBL23829559 | 0.71 | — | — | |
| SCHEMBL5316278 | 0.71 | — | — | |
| SCHEMBL28613071 | 0.71 | KDM4E (0.34) | — | |
| SCHEMBL69554 | 0.71 | KDM4E (0.34) | — | |
| SCHEMBL5172859 | 0.70 | — | — | |
| SCHEMBL70312 | 0.69 | GABRR1 (0.43) | — | |
| SCHEMBL4766425 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106732785-B | A kind of application of the porous metal-organic framework compound in silicon cyanation based on rare earth | 辽宁大学 | 2019-07-02 | — | — | CN | claimed |
| CN-106831813-B | It is a kind of based on the porous metal-organic framework compound and its preparation method and application containing thiophene | 辽宁大学 | 2019-03-15 | — | — | CN | claimed |
| CN-106831813-A | It is a kind of based on porous metal-organic framework compound containing thiophene and its preparation method and application | 辽宁大学 | 2017-06-13 | — | — | CN | claimed |
| CN-106732785-A | A kind of application of porous metal-organic framework compound based on rare earth in silicon cyanation | 辽宁大学 | 2017-05-31 | — | — | CN | claimed |
| CN-106732785-B | A kind of application of the porous metal-organic framework compound in silicon cyanation based on rare earth | 辽宁大学 | 2019-07-02 | — | — | CN | disclosed |
| CN-106732785-B | A kind of application of the porous metal-organic framework compound in silicon cyanation based on rare earth | 辽宁大学 | 2019-07-02 | — | — | CN | disclosed |
| CN-106831813-B | It is a kind of based on the porous metal-organic framework compound and its preparation method and application containing thiophene | 辽宁大学 | 2019-03-15 | — | — | CN | disclosed |
| CN-106831813-B | It is a kind of based on the porous metal-organic framework compound and its preparation method and application containing thiophene | 辽宁大学 | 2019-03-15 | — | — | CN | disclosed |
| CN-106831813-A | It is a kind of based on porous metal-organic framework compound containing thiophene and its preparation method and application | 辽宁大学 | 2017-06-13 | — | — | CN | disclosed |
| CN-106732785-A | A kind of application of porous metal-organic framework compound based on rare earth in silicon cyanation | 辽宁大学 | 2017-05-31 | — | — | CN | disclosed |