⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL179255 | 0.87 | — | — | |
| SCHEMBL2561084 | 0.85 | — | — | |
| Hydrogen Sulfide SCHEMBL28325947 | 0.84 | — | — | |
| SCHEMBL28121962 | 0.84 | — | — | |
| SCHEMBL4563756 | 0.84 | — | — | |
| SCHEMBL9905529 | 0.84 | — | — | |
| SCHEMBL1423736 | 0.84 | — | — | |
| SCHEMBL27827940 | 0.82 | — | — | |
| Benzene SCHEMBL11786892 | 0.81 | — | — | |
| SCHEMBL1759431 | 0.73 | — | — |
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-9780310-B2 | Heterocyclic compound for organic electroluminescent device and its application | TOSOH CORPORATION (JP) | 2017-10-03 | — | — | US | disclosed |
| US-9583715-B2 | Anthracene-based compounds and organic light-emitting device including the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2017-02-28 | — | — | US | disclosed |
| WO-2014123900-A1 | ANTI-CANCER AND ANTI-HIV COMPOUNDS | SIRENAS MARINE DISCOVERY (US) | 2014-08-14 | — | — | WO | disclosed |
| EP-2328890-B1 | 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS | PFIZER (US) | 2012-01-25 | — | — | EP | disclosed |