⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2487794 | 0.97 | — | — | |
| SCHEMBL8405561 | 0.94 | — | — | |
| SCHEMBL497156 | 0.84 | — | — | |
| SCHEMBL2487051 | 0.84 | GABBR2 (0.62) | — | |
| SCHEMBL8735236 | 0.83 | GABBR2 (0.45) | — | |
| SCHEMBL575409 | 0.81 | — | — | |
| SCHEMBL2518033 | 0.81 | GABBR2 (0.59) | — | |
| Hydrochloric Acid SCHEMBL11772934 | 0.81 | GABBR2 (0.50) | — | |
| SCHEMBL22710654 | 0.81 | GABBR2 (0.50) | — | |
| SCHEMBL29120164 | 0.81 | GABBR2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106167576-A | A kind of preparation method and applications of epoxy resin cladding Tripolycyanamide hydrobromide | 山东旭锐新材有限公司 | 2016-11-30 | — | — | CN | disclosed |