⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18952131 | 0.77 | PRSS1 (0.30) | — | |
| SCHEMBL19149788 | 0.77 | PRSS1 (0.30) | — | |
| SCHEMBL336725 | 0.76 | LIPG (0.39) | — | |
| SCHEMBL526232 | 0.76 | LIPG (0.39) | — | |
| SCHEMBL995399 | 0.72 | — | — | |
| SCHEMBL2312825 | 0.72 | — | — | |
| SCHEMBL14690901 | 0.70 | KEAP1 (0.34) | — | |
| SCHEMBL23333073 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL23057968 | 0.67 | BDKRB2 (0.31) | — | |
| SCHEMBL2943918 | 0.64 | LIPG (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11974500-B2 | Molecular semiconductors containing diketopyrrolopyrrole and dithioketopyrrolopyrrole chromophores for small molecule or vapor processed solar cells | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2024-04-30 | — | — | US | disclosed |
| US-20160301017-A1 | MOLECULAR SEMICONDUCTORS CONTAINING DIKETOPYRROLOPYRROLE AND DITHIOKETOPYRROLOPYRROLE CHROMOPHORES FOR SMALL MOLECULE OR VAPOR PROCESSED SOLAR CELLS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2016-10-13 | — | — | US | disclosed |
| US-20100326525-A1 | MOLECULAR SEMICONDUCTORS CONTAINING DIKETOPYRROLOPYRROLE AND DITHIOKETOPYRROLOPYRROLE CHROMOPHORES FOR SMALL MOLECULE OR VAPOR PROCESSED SOLAR CELLS | NAVY, SECRETARY OF THE UNITED STATES OF AMERICA | 2010-12-30 | — | — | US | disclosed |