⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30460678 | 0.86 | — | — | |
| SCHEMBL14917574 | 0.80 | ADRA2A (0.33) | — | |
| SCHEMBL25266 | 0.80 | — | — | |
| SCHEMBL6683456 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL27742777 | 0.78 | ADRA2A (0.32) | — | |
| Propane SCHEMBL28148423 | 0.78 | ADRA2A (0.32) | — | |
| SCHEMBL3919995 | 0.78 | ADRA2A (0.32) | — | |
| Oxirane SCHEMBL28312924 | 0.76 | ADRA2A (0.34) | — | |
| SCHEMBL962831 | 0.76 | — | — | |
| Alcohol SCHEMBL28228159 | 0.74 | ADRA2A (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0749045-B1 | Photosensitive compositions and their use in lithographic plates | KODAK POLYCHROME GRAPHICS LLC (US) | 2001-03-14 | — | — | EP | disclosed |
| EP-0749045-A2 | Photosensitive compositions and their use in lithographic plates | SUN CHEMICAL CORPORATION (US) | 1996-12-18 | — | — | EP | disclosed |