⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL202959 | 0.87 | USP2 (0.31) | — | |
| SCHEMBL487371 | 0.87 | USP2 (0.31) | — | |
| SCHEMBL10589103 | 0.85 | CETP (0.31) | — | |
| SCHEMBL487300 | 0.84 | — | — | |
| SCHEMBL11903902 | 0.83 | — | — | |
| SCHEMBL28508223 | 0.79 | — | — | |
| SCHEMBL28209111 | 0.78 | CETP (0.32) | — | |
| SCHEMBL3386131 | 0.77 | — | — | |
| SCHEMBL9787741 | 0.77 | — | — | |
| SCHEMBL8015433 | 0.77 | — | — |
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-104130769-B | A kind of electrochromism functional material and electrochromic device | 北京大学 | 2016-06-29 | — | — | CN | claimed |
| CN-104130769-B | A kind of electrochromism functional material and electrochromic device | 北京大学 | 2016-06-29 | — | — | CN | disclosed |