⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10945776 | 0.84 | CDC25A (0.34) | — | |
| SCHEMBL10941709 | 0.84 | PTPRC (0.30) | — | |
| SCHEMBL10947560 | 0.78 | — | — | |
| SCHEMBL10948633 | 0.75 | — | — | |
| SCHEMBL10947300 | 0.75 | S100A4 (0.43) | — | |
| SCHEMBL600297 | 0.74 | TTR (0.44) | — | |
| SCHEMBL10948647 | 0.74 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL5846676 | 0.74 | MAPT (0.44) | — | |
| SCHEMBL9680985 | 0.73 | ALDH1A1 (0.46) | — | |
| SCHEMBL10942511 | 0.72 | TTR (0.47) | — |
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-4496447-A | PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS AND FOR CURING PRINTING INKS | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1985-01-29 | — | — | US | disclosed |
| US-4374984-A | Aromatic-aliphatic ketones useful as photoinitiators | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1983-02-22 | — | — | US | disclosed |