⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL500518 | 0.94 | CYP3A4 (0.32) | — | |
| SCHEMBL15025935 | 0.80 | — | — | |
| SCHEMBL120101 | 0.73 | TSHR (0.39) | — | |
| SCHEMBL5907881 | 0.71 | PGK1 (0.32) | — | |
| SCHEMBL1133146 | 0.71 | CA2 (0.32) | — | |
| SCHEMBL2724509 | 0.70 | CYP3A4 (0.44) | — | |
| SCHEMBL10346431 | 0.70 | CYP3A4 (0.37) | — | |
| Hexamethylbenzene SCHEMBL10345657 | 0.70 | CYP3A4 (0.37) | — | |
| Fluoride SCHEMBL28587768 | 0.70 | CYP3A4 (0.37) | — | |
| SCHEMBL10411849 | 0.70 | CYP3A4 (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-20130146852-A1 | ORGANIC LIGHT-EMITTING POLYMER AND DEVICE | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2013-06-13 | — | — | US | disclosed |