⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28857975 | 0.79 | EPHX1 (0.35) | — | |
| SCHEMBL9109587 | 0.79 | — | — | |
| SCHEMBL27848322 | 0.78 | — | — | |
| SCHEMBL23000935 | 0.77 | EPHX1 (0.38) | — | |
| SCHEMBL28857977 | 0.76 | BCHE (0.37) | — | |
| SCHEMBL5969222 | 0.74 | — | — | |
| SCHEMBL23000951 | 0.74 | EPHX1 (0.44) | — | |
| SCHEMBL155558 | 0.74 | ACHE (0.50) | — | |
| SCHEMBL29203677 | 0.74 | MMP1 (0.38) | — | |
| SCHEMBL5968960 | 0.72 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115191438-A | Novel bactericide gel and preparation method thereof | 盐城市聚科化工有限公司 | 2022-10-18 | — | — | CN | claimed |
| CN-104394693-B | Fungicidal pyrazole mixtures | 纳幕尔杜邦公司 | 2016-10-05 | — | — | CN | claimed |
| CN-104394693-A | Fungicidal pyrazole mixtures | DU PONT | 2015-03-04 | — | — | CN | claimed |
| CN-105263920-B | Fungicidal amides | 杜邦公司 | 2017-09-26 | — | — | CN | disclosed |
| CN-104394693-B | Fungicidal pyrazole mixtures | 纳幕尔杜邦公司 | 2016-10-05 | — | — | CN | disclosed |
| CN-105263920-A | Fungicidal carboxamides | DU PONT | 2016-01-20 | — | — | CN | disclosed |
| CN-105121411-A | Fungicidal amides | DU PONT | 2015-12-02 | — | — | CN | disclosed |
| CN-104394693-A | Fungicidal pyrazole mixtures | DU PONT | 2015-03-04 | — | — | CN | disclosed |