⚠ 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 | |
|---|---|---|---|---|
| Isothiazole SCHEMBL642842 | 0.96 | — | — | |
| Isothiazole SCHEMBL5679 | 0.96 | — | — | |
| Isothiazole SCHEMBL2845647 | 0.93 | — | — | |
| Isothiazole SCHEMBL28063961 | 0.93 | — | — | |
| Isothiazole SCHEMBL28168124 | 0.93 | — | — | |
| Isothiazole SCHEMBL9391996 | 0.93 | — | — | |
| Isothiazole SCHEMBL30450994 | 0.93 | — | — | |
| Benzene SCHEMBL27379971 | 0.93 | — | — | |
| Isothiazole SCHEMBL28981301 | 0.93 | — | — | |
| Isothiazole SCHEMBL28200799 | 0.93 | — | — |
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-216033003-U | Structure of antibacterial membrane | 煜炀烯(厦门)新材料科技有限公司 | 2022-03-15 | — | — | CN | disclosed |
| CN-106986857-B | Trk inhibiting compound | 小野药品工业株式会社 | 2019-07-05 | — | — | CN | disclosed |
| CN-104193750-B | Suppress mitotic Compounds and methods for by suppressing aurora kinase | 千禧药品公司 | 2018-04-27 | — | — | CN | disclosed |
| CN-106986857-A | Trk inhibiting compounds | 小野药品工业株式会社 | 2017-07-28 | — | — | CN | disclosed |
| CN-106928197-A | Trk inhibiting compounds | 小野药品工业株式会社 | 2017-07-07 | — | — | CN | disclosed |
| CN-104903325-A | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | VERTEX PHARMA | 2015-09-09 | — | — | CN | disclosed |
| CN-101305011-B | Pyridine derivatives and their use in the treatment of psychotic disorders | SMITHKLINE BEECHAM CORP | 2011-03-02 | — | — | CN | disclosed |
| CN-101305011-A | Pyridine derivatives and their use in the treatment of psychotic disorders | SMITHKLINE BEECHAM CORP (US) | 2008-11-12 | — | — | CN | disclosed |