⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17514406 | 0.97 | GSK3B (0.30) | — | |
| SCHEMBL17514380 | 0.97 | CHEK1 (0.32) | — | |
| SCHEMBL17514404 | 0.94 | CHEK1 (0.32) | — | |
| SCHEMBL17514438 | 0.93 | GSK3B (0.31) | — | |
| SCHEMBL17514422 | 0.91 | GSK3B (0.33) | — | |
| SCHEMBL17514351 | 0.90 | GSK3B (0.32) | — | |
| SCHEMBL17514433 | 0.89 | GSK3B (0.30) | — | |
| SCHEMBL17514347 | 0.88 | GSK3B (0.34) | — | |
| SCHEMBL17514413 | 0.86 | GSK3B (0.31) | — | |
| SCHEMBL17514410 | 0.86 | CHEK1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3183250-A1 | PROCESS FOR PREPARING CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL | BASF SE (DE) | 2017-06-28 | — | — | EP | disclosed |
| WO-2016027218-A1 | PROCESS FOR PREPARING CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL | BASF SE (DE) | 2016-02-25 | — | — | WO | disclosed |