⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17657426 | 0.89 | CASP3 (0.32) | — | |
| SCHEMBL17657452 | 0.88 | — | — | |
| SCHEMBL17657451 | 0.87 | CASP3 (0.31) | — | |
| SCHEMBL17657415 | 0.87 | PGR (0.38) | — | |
| SCHEMBL17657381 | 0.85 | PGR (0.37) | — | |
| SCHEMBL17657388 | 0.75 | MAOA (0.35) | — | |
| SCHEMBL17657410 | 0.74 | PGR (0.40) | — | |
| SCHEMBL17657449 | 0.74 | PGR (0.36) | — | |
| SCHEMBL17657454 | 0.73 | — | — | |
| SCHEMBL17657416 | 0.72 | PGR (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170092865-A1 | N-TYPE ORGANIC SEMICONDUCTOR FORMULATIONS AND DEVICES | YUNING LI (CA) | 2017-03-30 | — | — | US | disclosed |
| US-20160099412-A1 | N-TYPE ORGANIC SEMICONDUCTOR FORMULATIONS AND DEVICES | LI YUNING (CA) | 2016-04-07 | — | — | US | disclosed |