⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27694698 | 0.86 | TSHR (0.31) | — | |
| SCHEMBL27547407 | 0.80 | — | — | |
| SCHEMBL27659928 | 0.80 | — | — | |
| SCHEMBL27787786 | 0.77 | — | — | |
| SCHEMBL27572686 | 0.76 | — | — | |
| SCHEMBL28110542 | 0.76 | — | — | |
| SCHEMBL27278629 | 0.76 | ADRB2 (0.35) | — | |
| SCHEMBL27554100 | 0.76 | — | — | |
| SCHEMBL28864603 | 0.73 | THRB (0.35) | — | |
| SCHEMBL1923008 | 0.73 | THRB (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106252624-A | Cathode of lithium battery poriferous titanium dioxide and preparation method thereof | 先进储能材料国家工程研究中心有限责任公司 | 2016-12-21 | — | — | CN | disclosed |
| CN-106062044-A | Polysiloxane copolymer, and antistatic agent and resin composition containing same | 信越化学工业株式会社 | 2016-10-26 | — | — | CN | disclosed |