⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22009713 | 0.78 | — | — | |
| SCHEMBL21031608 | 0.67 | — | — | |
| SCHEMBL26703167 | 0.65 | — | — | |
| Tert-Butylamine SCHEMBL11033038 | 0.61 | — | — | |
| SCHEMBL15858154 | 0.61 | — | — | |
| SCHEMBL15935811 | 0.61 | — | — | |
| SCHEMBL9978117 | 0.61 | — | — | |
| SCHEMBL2787056 | 0.61 | — | — | |
| SCHEMBL24685196 | 0.61 | — | — | |
| SCHEMBL14098536 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE46974-E1 | Organic electroluminescence device | IDEMITSU KOSAN CO., LTD. (JP) | 2018-07-31 | — | — | US | disclosed |