⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13024243 | 0.89 | NPC1 (0.30) | — | |
| SCHEMBL20733382 | 0.85 | — | — | |
| SCHEMBL14123554 | 0.84 | MAPT (0.33) | — | |
| SCHEMBL17657361 | 0.73 | — | — | |
| SCHEMBL18100473 | 0.72 | NPC1 (0.41) | — | |
| SCHEMBL16546614 | 0.72 | HSD17B1 (0.33) | — | |
| SCHEMBL20733418 | 0.71 | — | — | |
| SCHEMBL862637 | 0.71 | ALDH1A1 (0.37) | — | |
| SCHEMBL20733365 | 0.71 | — | — | |
| SCHEMBL17657351 | 0.71 | — | — |
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 |