⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13772956 | 0.69 | — | — | |
| SCHEMBL1702146 | 0.69 | — | — | |
| SCHEMBL20841684 | 0.67 | — | — | |
| SCHEMBL42667 | 0.66 | — | — | |
| SCHEMBL12979112 | 0.66 | — | — | |
| SCHEMBL11295633 | 0.65 | — | — | |
| SCHEMBL4180598 | 0.65 | — | — | |
| SCHEMBL10330414 | 0.61 | — | — | |
| SCHEMBL12033637 | 0.58 | — | — | |
| SCHEMBL899976 | 0.56 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8197722-B2 | Irradiating the compound (containing two electron donor groups and a bridge of pi-conjugated bonds containing electron donor groups) with light, and the compound is converted to a multi-photon electronically excited state | THE CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2012-06-12 | — | — | US | disclosed |
| US-8039625-B2 | Coronene charge-transport materials, methods of fabrication thereof, and methods of use thereof | GEORGIA TECH RESEARCH CORPORATION (US) | 2011-10-18 | — | — | US | disclosed |
| US-20090044863-A1 | CORONENE CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF | NATIONAL SCIENCE FOUNDATION | 2009-02-19 | — | — | US | disclosed |
| US-20080283804-A1 | include a bridge of pi-conjugated bonds connecting electron donating or accepting groups; electronically excited upon absorption lead to formation of Lewis acidic species, Lewis basic species, radical species or ionic species; chromogens use in engineering, biological, and medicinal field | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2008-11-20 | — | — | US | disclosed |