⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28293765 | 0.82 | IDH1 (0.37) | — | |
| SCHEMBL21495443 | 0.81 | — | — | |
| SCHEMBL23926272 | 0.81 | — | — | |
| SCHEMBL28292068 | 0.79 | TAAR1 (0.39) | — | |
| SCHEMBL28292092 | 0.79 | HDAC1 (0.37) | — | |
| SCHEMBL28292062 | 0.79 | CHRM4 (0.37) | — | |
| SCHEMBL28292058 | 0.78 | TAAR1 (0.38) | — | |
| SCHEMBL28293764 | 0.76 | CYP2A6 (0.37) | — | |
| SCHEMBL28872646 | 0.75 | ALDH1A1 (0.38) | — | |
| SCHEMBL28293755 | 0.72 | ALDH1A1 (0.32) | — |
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-109843056-A | 4-substituted phenylamine derivatives and their use for protecting crops against undesired phytopathogenic microorganisms | 印度商皮埃企业有限公司 | 2019-06-04 | — | — | CN | claimed |
| CN-109843056-A | 4-substituted phenylamine derivatives and their use for protecting crops against undesired phytopathogenic microorganisms | 印度商皮埃企业有限公司 | 2019-06-04 | — | — | CN | disclosed |