⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4137390 | 0.79 | — | — | |
| SCHEMBL31213992 | 0.77 | — | — | |
| SCHEMBL8373774 | 0.77 | — | — | |
| SCHEMBL5915980 | 0.75 | — | — | |
| SCHEMBL9800080 | 0.75 | — | — | |
| SCHEMBL8373751 | 0.75 | — | — | |
| SCHEMBL491123 | 0.74 | — | — | |
| SCHEMBL28538182 | 0.72 | CYP19A1 (0.30) | — | |
| SCHEMBL5915940 | 0.71 | — | — | |
| SCHEMBL2502450 | 0.70 | — | — |
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-5068371-A | Photoinitiators for polymerization | CIBA-GEIGY CORPORATION (US) | 1991-11-26 | — | — | US | disclosed |