⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7151257 | 0.83 | ADRA2A (0.41) | — | |
| SCHEMBL29634824 | 0.78 | TDP1 (0.33) | — | |
| SCHEMBL31376555 | 0.71 | SLC18A3 (0.43) | — | |
| SCHEMBL29811265 | 0.71 | SLC18A3 (0.43) | — | |
| SCHEMBL4975851 | 0.71 | SLC18A3 (0.43) | — | |
| SCHEMBL9859294 | 0.69 | — | — | |
| SCHEMBL2884520 | 0.69 | — | — | |
| SCHEMBL5080443 | 0.69 | — | — | |
| SCHEMBL6849544 | 0.67 | — | — | |
| SCHEMBL10456470 | 0.67 | GABRA1 (0.36) | — |
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-20080108760-A1 | Active Energy Curable Ink Composition for Multicoat Printing | MATSUI CHEMICAL CO., LTD. (JP) | 2008-05-08 | — | — | US | disclosed |
| EP-1762600-A1 | ACTINIC-ENERGY-RAY-CURABLE INK COMPOSITION FOR OVERPRINTING | Matsui Chemical Co., Ltd. (JP) | 2007-03-14 | — | — | EP | disclosed |