⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL27955340 | 0.96 | TSHR (0.64) | — | |
| Pyridine SCHEMBL27748874 | 0.96 | TSHR (0.64) | — | |
| Pyridine SCHEMBL10542959 | 0.96 | TSHR (0.64) | — | |
| Pyridine SCHEMBL31396433 | 0.88 | — | — | |
| Pyridine SCHEMBL28128071 | 0.86 | TSHR (0.60) | — | |
| Pyridine SCHEMBL7330095 | 0.86 | — | — | |
| Pyridine SCHEMBL2469902 | 0.85 | TSHR (0.69) | — | |
| Pyridine SCHEMBL933604 | 0.83 | TSHR (1.00) | — | |
| Pyridine SCHEMBL16 | 0.83 | — | — | |
| Benzene SCHEMBL10751789 | 0.83 | TSHR (1.00) | — |
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-106309377-A | Preparation method of angelica sinensis-selenium polysaccharide pellet | 刘伟 | 2017-01-11 | — | — | CN | claimed |
| EP-2619174-A1 | PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE | Ind-Swift Laboratories Limited (IN) | 2013-07-31 | — | — | EP | claimed |
| WO-2012038974-A1 | PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE | IND-SWIFT LABORATORIES LIMITED (IN) | 2012-03-29 | — | — | WO | claimed |
| CN-106309377-A | Preparation method of angelica sinensis-selenium polysaccharide pellet | 刘伟 | 2017-01-11 | — | — | CN | disclosed |