⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28017203 | 0.97 | — | — | |
| SCHEMBL27436100 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL22092309 | 0.94 | — | — | |
| SCHEMBL27680412 | 0.94 | — | — | |
| SCHEMBL27784683 | 0.87 | — | — | |
| SCHEMBL28198102 | 0.87 | — | — | |
| SCHEMBL28216966 | 0.87 | — | — | |
| SCHEMBL29074033 | 0.87 | — | — | |
| Propanol SCHEMBL28193863 | 0.80 | — | — | |
| SCHEMBL3210102 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1322707-A | Producing process for triazole derivant | KANEGAFUCHI CHEMICAL IND (JP) | 2001-11-21 | — | — | CN | claimed |
| CN-1126987-A | Process for producing triazole derivative | KANEGAFUCHI CHEMICAL IND (JP) | 1996-07-17 | — | — | CN | claimed |
| CN-1322707-A | Producing process for triazole derivant | KANEGAFUCHI CHEMICAL IND (JP) | 2001-11-21 | — | — | CN | disclosed |
| CN-1126987-A | Process for producing triazole derivative | KANEGAFUCHI CHEMICAL IND (JP) | 1996-07-17 | — | — | CN | disclosed |