⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL4439052 | 0.68 | TSHR (0.34) | — | |
| Hydrochloric Acid SCHEMBL27905741 | 0.65 | — | — | |
| Sulfuric Acid SCHEMBL28933356 | 0.65 | — | — | |
| SCHEMBL9823681 | 0.64 | — | — | |
| SCHEMBL11165134 | 0.63 | ESR1 (0.39) | — | |
| SCHEMBL27999480 | 0.63 | — | — | |
| Sulfuric Acid SCHEMBL29221910 | 0.63 | — | — | |
| SCHEMBL7814345 | 0.62 | — | — | |
| Sulfamate SCHEMBL9780497 | 0.60 | CA1 (0.35) | — | |
| SCHEMBL15437001 | 0.60 | HTR2C (0.42) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8273875-B2 | High performance luminescent compounds | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2012-09-25 | — | — | US | claimed |
| WO-2011059457-A1 | HIGH PERFORMANCE LUMINESCENT COMPOUNDS | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2011-05-19 | — | — | WO | claimed |
| US-20110118459-A1 | HIGH PERFORMANCE LUMINESCENT COMPOUNDS | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2011-05-19 | — | — | US | claimed |
| US-8273875-B2 | High performance luminescent compounds | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2012-09-25 | — | — | US | disclosed |
| WO-2011059457-A1 | HIGH PERFORMANCE LUMINESCENT COMPOUNDS | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2011-05-19 | — | — | WO | disclosed |
| US-20110118459-A1 | HIGH PERFORMANCE LUMINESCENT COMPOUNDS | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2011-05-19 | — | — | US | disclosed |