⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6862086 | 0.87 | THRB (0.30) | — | |
| SCHEMBL6862790 | 0.84 | ACHE (0.30) | — | |
| SCHEMBL6862292 | 0.83 | MTNR1A (0.32) | — | |
| SCHEMBL6856476 | 0.83 | ALDH1A1 (0.35) | — | |
| SCHEMBL6863280 | 0.81 | SLC6A4 (0.32) | — | |
| SCHEMBL6862995 | 0.79 | SLC6A4 (0.32) | — | |
| SCHEMBL5209184 | 0.79 | ALDH1A1 (0.38) | — | |
| SCHEMBL6865077 | 0.79 | KDM4E (0.30) | — | |
| SCHEMBL6861846 | 0.75 | ACHE (0.34) | — | |
| SCHEMBL6863040 | 0.72 | CA1 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6794471-B2 | OF A HYDROXYHYDROCARBYL- OR MERCAPTOHYDROCARBYL- DITHIOLANE; CURED OPTICAL ARTICLE FORMED BY PHOTOPOLYMERIZING THE ACRYLATE | MITSUI CHEMICALS, INC. (JP) | 2004-09-21 | — | — | US | disclosed |
| EP-1193264-B1 | Acrylic ester compound and usage thereof | MITSUI CHEMICALS INC (JP) | 2004-03-31 | — | — | EP | disclosed |
| US-20020061995-A1 | Acrylic ester compound and usage thereof | MITSUI CHEMICALS, INC. (JP) | 2002-05-23 | — | — | US | disclosed |
| EP-1193264-A1 | Acrylic ester compound and usage thereof | Mitsui Chemicals, Inc. (JP) | 2002-04-03 | — | — | EP | disclosed |