⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1412124 | 0.72 | — | — | |
| SCHEMBL16186777 | 0.72 | TSHR (0.37) | — | |
| Fluoromethane SCHEMBL28171077 | 0.71 | — | — | |
| SCHEMBL135673 | 0.69 | — | — | |
| SCHEMBL13611580 | 0.69 | — | — | |
| SCHEMBL20648 | 0.69 | — | — | |
| SCHEMBL16668528 | 0.69 | — | — | |
| SCHEMBL5237748 | 0.69 | — | — | |
| SCHEMBL21246430 | 0.67 | — | — | |
| SCHEMBL18264579 | 0.67 | — | — |
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-107427591-A | Connector and its application for ADC | 南京明德新药研发股份有限公司 | 2017-12-01 | — | — | CN | disclosed |
| CN-104781261-B | The macrocyclic hcv inhibitors of flaviviridae | 吉利德科学公司 | 2017-08-25 | — | — | CN | disclosed |
| CN-104781261-A | Macrocyclic inhibitors of flaviviridae viruses | GILEAD SCIENCES INC | 2015-07-15 | — | — | CN | disclosed |
| CN-102964296-B | Fluorinated derivatives of deferiprone | APOTEX TECHNOLOGIES INC | 2015-03-25 | — | — | CN | disclosed |