⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20173341 | 0.78 | GFER (0.40) | — | |
| SCHEMBL2150129 | 0.73 | HSP90AA1 (0.30) | — | |
| SCHEMBL17010911 | 0.73 | — | — | |
| SCHEMBL14653654 | 0.72 | — | — | |
| SCHEMBL21166573 | 0.71 | GFER (0.40) | — | |
| SCHEMBL20434460 | 0.70 | APP (0.38) | — | |
| SCHEMBL2367663 | 0.69 | — | — | |
| SCHEMBL18371542 | 0.69 | — | — | |
| SCHEMBL17010921 | 0.67 | CYP2A6 (0.36) | — | |
| SCHEMBL16151875 | 0.66 | PKM (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9112157-B2 | Hole transport materials including OLED applications | SOLVAY USA, INC. (US) | 2015-08-18 | — | — | US | disclosed |