⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7761112 | 0.97 | — | — | |
| Ethane SCHEMBL27475213 | 0.94 | — | — | |
| Phosphine SCHEMBL27848479 | 0.94 | — | — | |
| Methane SCHEMBL27491577 | 0.94 | — | — | |
| SCHEMBL28254769 | 0.94 | — | — | |
| SCHEMBL28255912 | 0.94 | — | — | |
| Butane SCHEMBL27473484 | 0.94 | NOS1 (0.52) | — | |
| Methyl Alcohol SCHEMBL27259992 | 0.94 | — | — | |
| Propane SCHEMBL27268418 | 0.94 | NOS1 (0.52) | — | |
| SCHEMBL27690893 | 0.92 | NOS1 (0.50) | — |
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-105981723-B | A kind of bactericidal composition of the compound of amine containing substituted diphenylamine | 中化农化有限公司 | 2019-01-22 | — | — | CN | disclosed |
| CN-105981723-A | Sterilization composition containing substituted diphenylamine compound | 中化农化有限公司 | 2016-10-05 | — | — | CN | disclosed |