⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28019918 | 0.76 | — | — | |
| SCHEMBL4437116 | 0.75 | — | — | |
| SCHEMBL3702793 | 0.69 | — | — | |
| SCHEMBL28469114 | 0.64 | — | — | |
| SCHEMBL9504150 | 0.62 | — | — | |
| SCHEMBL27800220 | 0.62 | — | — | |
| SCHEMBL28476021 | 0.61 | — | — | |
| SCHEMBL28785905 | 0.60 | — | — | |
| SCHEMBL1535908 | 0.59 | — | — | |
| SCHEMBL17134062 | 0.58 | — | — |
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-104822666-B | Terazololine-one compound and application thereof | 住友化学株式会社 | 2016-09-21 | — | — | CN | disclosed |
| CN-104822666-A | Tetrazolinone compound and use thereof | SUMITOMO CHEMICAL CO | 2015-08-05 | — | — | CN | disclosed |