⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6955183 | 0.59 | — | — | |
| SCHEMBL441023 | 0.59 | — | — | |
| SCHEMBL29236157 | 0.59 | — | — | |
| SCHEMBL471026 | 0.56 | — | — | |
| SCHEMBL1304469 | 0.56 | — | — | |
| SCHEMBL16842676 | 0.56 | — | — | |
| SCHEMBL469416 | 0.56 | — | — | |
| SCHEMBL15579735 | 0.56 | — | — | |
| SCHEMBL1304467 | 0.56 | — | — | |
| Dimethylamine SCHEMBL175267 | 0.54 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7632954-B2 | Sym-N-(n-hexyl)-5-bromotriindole; Sym-N-(n-hexyl)-5-phenyltriindole; Sym-N-(n-hexyl)-[2-cyano-2-(4-pyridyl)vinyl]triindole; electrification preventions, electrification controls, capacitors, batteries, chemical sensors, displays, organic EL materials, solar cells, photodiodes, phototransistors; fibers | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2009-12-15 | — | — | US | disclosed |
| US-20070191455-A1 | Substituted sym-triindole | IHARA CHEMICAL INDUSTRY CO., LTD. (JP) | 2007-08-16 | — | — | US | disclosed |
| EP-1717239-A1 | SUBSTITUTED SYM-TRIINDOLE | Ihara Chemical Industry Co., Ltd. (JP) | 2006-11-02 | — | — | EP | disclosed |