⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1270353 | 0.90 | — | — | |
| SCHEMBL32669034 | 0.90 | — | — | |
| SCHEMBL30433937 | 0.86 | — | — | |
| SCHEMBL31744687 | 0.83 | — | — | |
| SCHEMBL29702843 | 0.83 | — | — | |
| SCHEMBL14331783 | 0.82 | ALDH1A1 (0.41) | — | |
| SCHEMBL32689955 | 0.80 | — | — | |
| SCHEMBL12302106 | 0.79 | CYP2A6 (0.31) | — | |
| SCHEMBL2817096 | 0.79 | CYP2A6 (0.31) | — | |
| SCHEMBL30271854 | 0.77 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8968883-B2 | Chrysene derivative materials | E I DU PONT DE NEMOURS AND COMPANY (US) | 2015-03-03 | — | — | US | disclosed |
| US-8617720-B2 | Electroactive composition and electronic device made with the composition | E I DU PONT DE NEMOURS AND COMPANY (US) | 2013-12-31 | — | — | US | disclosed |
| US-20130187140-A1 | CHRYSENE DERIVATIVE MATERIALS | E I DU PONT DE NEMOURS AND COMPANY (US) | 2013-07-25 | — | — | US | disclosed |
| US-20110147718-A1 | ELECTROACTIVE COMPOSITION AND ELECTRONIC DEVICE MADE WITH THE COMPOSITION | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-06-23 | — | — | US | disclosed |
| US-20110037381-A1 | CHRYSENE DERIVATIVE MATERIALS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2011-02-17 | — | — | US | disclosed |