⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6497810 | 0.80 | MEN1 (0.32) | — | |
| SCHEMBL4890557 | 0.72 | HTR6 (0.34) | — | |
| SCHEMBL10822321 | 0.70 | HTR6 (0.31) | — | |
| SCHEMBL5604169 | 0.70 | HTR6 (0.35) | — | |
| SCHEMBL34607 | 0.67 | ALDH1A1 (0.32) | — | |
| Bromide SCHEMBL25396186 | 0.65 | ALDH1A1 (0.31) | — | |
| Iodide SCHEMBL5143897 | 0.65 | ALDH1A1 (0.31) | — | |
| Water SCHEMBL29258026 | 0.65 | ALDH1A1 (0.31) | — | |
| Bromide SCHEMBL584276 | 0.65 | ALDH1A1 (0.31) | — | |
| Bromide SCHEMBL584440 | 0.65 | ALDH1A1 (0.31) | — |
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-106574114-B | Curable organopolysiloxane composition | 瓦克化学股份公司 | 2019-10-15 | — | — | CN | disclosed |
| CN-105189495-A | Microbicidally active imidazopyridine derivatives | SYNGENTA PARTICIPATIONS AG | 2015-12-23 | — | — | CN | disclosed |