⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16772073 | 0.91 | — | — | |
| SCHEMBL16772014 | 0.90 | — | — | |
| SCHEMBL16772012 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL16772031 | 0.82 | TRPV4 (0.31) | — | |
| SCHEMBL16772013 | 0.82 | — | — | |
| SCHEMBL16772029 | 0.81 | CA12 (0.32) | — | |
| SCHEMBL16772069 | 0.77 | GRM5 (0.37) | — | |
| SCHEMBL16772089 | 0.77 | AKR1C3 (0.30) | — | |
| SCHEMBL16772048 | 0.72 | CES2 (0.31) | — | |
| SCHEMBL16772060 | 0.72 | RXRA (0.38) | — |
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-20150155490-A1 | ORGANIC COMPOUNDS AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME | LG DISPLAY CO., LTD. (KR) | 2015-06-04 | — | — | US | disclosed |