⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12394128 | 0.82 | PTGS2 (0.30) | — | |
| SCHEMBL9161408 | 0.69 | LMNA (0.31) | — | |
| SCHEMBL12394130 | 0.60 | — | — | |
| SCHEMBL14515625 | 0.59 | — | — | |
| SCHEMBL6556277 | 0.59 | ALDH1A1 (0.35) | — | |
| SCHEMBL996564 | 0.56 | PTGS2 (0.33) | — | |
| SCHEMBL2200799 | 0.50 | — | — | |
| SCHEMBL7014344 | 0.49 | — | — | |
| SCHEMBL10830328 | 0.48 | EGFR (0.33) | — | |
| SCHEMBL10830337 | 0.48 | EGFR (0.33) | — |
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-9362508-B2 | Diketopyrrolopyrrole oligomers for use in organic semiconductor devices | BASF SE (DE) | 2016-06-07 | — | — | US | disclosed |
| US-20140128618-A1 | DIKETOPYRROLOPYRROLE OLIGOMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES | BASF SE (DE) | 2014-05-08 | — | — | US | disclosed |
| US-8008507-B2 | Fluorescent diketopyrrolopyrroles | BASF SE Ludwigshafen (DE) | 2011-08-30 | — | — | US | disclosed |
| US-20080217581-A1 | Inks, colorants, pigmented plastics for coatings, non-impact-printing material, color filters, cosmetics, polymeric ink particles, toners, fluorescent tracers; high in the efficiency of electrical energy utilisation and high in luminance | CIBA CORPORATION | 2008-09-11 | — | — | US | disclosed |