⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26908 | 0.80 | — | — | |
| SCHEMBL10948468 | 0.80 | — | — | |
| Pyrrole SCHEMBL28330598 | 0.80 | — | — | |
| Pyrrole SCHEMBL27504565 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL8653125 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL11772865 | 0.76 | — | — | |
| Phosphine SCHEMBL7553985 | 0.76 | — | — | |
| Water SCHEMBL675388 | 0.76 | — | — | |
| Fluoride SCHEMBL1260469 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL10749779 | 0.76 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106377540-B | Bifunctional compounds for the prevention and treatment of neurodegenerative diseases | 中央研究院 | 2019-08-16 | — | — | CN | disclosed |
| CN-106715397-A | Method of preparing fluorine-18 labeled cabozantinib and its analogs | 埃克塞里艾克西斯公司 | 2017-05-24 | — | — | CN | disclosed |
| CN-106573882-A | Novel routes of synthesis for preparation of suvorexant | 桑多斯股份公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-106377540-A | Bifunctional compounds binding to adenosine A2A receptors and adenosine transporters for the prevention and treatment of neurodegenerative diseases | 中央研究院 | 2017-02-08 | — | — | CN | disclosed |
| CN-102740849-A | Binding to adenosine A2ABifunctional compounds of receptor and adenosine transporter for preventing and treating neurodegenerative diseases | ACADEMIA SINICA | 2012-10-17 | — | — | CN | disclosed |
| CN-101945887-A | Cationic core-shell peptide nanoparticles | AGENCY SCIENCE TECH & RES | 2011-01-12 | — | — | CN | disclosed |