⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15836553 | 0.94 | — | — | |
| SCHEMBL9980072 | 0.79 | — | — | |
| SCHEMBL9976822 | 0.74 | CYP11B1 (0.36) | — | |
| SCHEMBL17049804 | 0.73 | — | — | |
| SCHEMBL9980011 | 0.70 | CYP11B1 (0.31) | — | |
| SCHEMBL9976874 | 0.66 | CYP11B1 (0.38) | — | |
| SCHEMBL17750730 | 0.66 | — | — | |
| SCHEMBL9980058 | 0.63 | — | — | |
| SCHEMBL9980004 | 0.63 | CYP11B1 (0.33) | — | |
| SCHEMBL9976826 | 0.61 | HPSE (0.31) | — |
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-20140175416-A1 | LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND | GOTO DAISUKE (JP) | 2014-06-26 | — | — | US | disclosed |