⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21610583 | 0.87 | ADORA3 (0.32) | — | |
| SCHEMBL18965684 | 0.74 | TDP1 (0.33) | — | |
| SCHEMBL19303455 | 0.74 | — | — | |
| SCHEMBL17865293 | 0.72 | NTRK1 (0.37) | — | |
| SCHEMBL19598893 | 0.70 | PRKCI (0.33) | — | |
| SCHEMBL18909176 | 0.70 | NTRK1 (0.36) | — | |
| SCHEMBL15423515 | 0.66 | ADORA3 (0.39) | — | |
| SCHEMBL15424496 | 0.63 | NTRK1 (0.35) | — | |
| SCHEMBL29847520 | 0.63 | MAPT (0.52) | — | |
| SCHEMBL18882005 | 0.62 | ADORA3 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016096967-A1 | 6H-PYRROLO[3,2-B:4,5-B']BIS[1,4]BENZOTHIAZINE-6-CARBOXYLIC ACID ESTERS AS ORGANIC SEMICONDUCTOR MATERIALS FOR USE IN ELECTRONIC DEVICES | BASF SE (DE) | 2016-06-23 | — | — | WO | disclosed |