⚠ 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 | |
|---|---|---|---|---|
| Propene SCHEMBL28158145 | 0.87 | — | — | |
| Propene SCHEMBL8052825 | 0.85 | — | — | |
| Propene SCHEMBL5979778 | 0.84 | TSHR (0.36) | — | |
| Propene SCHEMBL9250413 | 0.84 | TSHR (0.36) | — | |
| Propene SCHEMBL1075390 | 0.84 | TSHR (0.36) | — | |
| Propene SCHEMBL2745364 | 0.84 | — | — | |
| Propene SCHEMBL8159815 | 0.81 | TSHR (0.33) | — | |
| Propene SCHEMBL11591332 | 0.81 | TSHR (0.33) | — | |
| Propene SCHEMBL10413219 | 0.81 | TSHR (0.33) | — | |
| Propene SCHEMBL10414104 | 0.81 | TSHR (0.33) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107721973-A | A kind of method for preparing single thiocarbonic acid propylene | 常熟理工学院 | 2018-02-23 | — | — | CN | claimed |
| CN-107619405-A | It is a kind of（R）The preparation method of single thiocarbonic acid propylene | 常熟理工学院 | 2018-01-23 | — | — | CN | claimed |
| CN-107721973-A | A kind of method for preparing single thiocarbonic acid propylene | 常熟理工学院 | 2018-02-23 | — | — | CN | disclosed |
| CN-107721973-A | A kind of method for preparing single thiocarbonic acid propylene | 常熟理工学院 | 2018-02-23 | — | — | CN | disclosed |
| CN-107721973-A | A kind of method for preparing single thiocarbonic acid propylene | 常熟理工学院 | 2018-02-23 | — | — | CN | disclosed |
| CN-107619405-A | It is a kind of（R）The preparation method of single thiocarbonic acid propylene | 常熟理工学院 | 2018-01-23 | — | — | CN | disclosed |
| CN-107619405-A | It is a kind of（R）The preparation method of single thiocarbonic acid propylene | 常熟理工学院 | 2018-01-23 | — | — | CN | disclosed |
| CN-107619405-A | It is a kind of（R）The preparation method of single thiocarbonic acid propylene | 常熟理工学院 | 2018-01-23 | — | — | CN | disclosed |