⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6494795 | 0.75 | — | — | |
| SCHEMBL8160229 | 0.71 | — | — | |
| SCHEMBL960382 | 0.67 | GRIN2D (0.38) | — | |
| Water SCHEMBL4022360 | 0.65 | NPFFR1 (0.37) | — | |
| SCHEMBL6504633 | 0.62 | — | — | |
| SCHEMBL6496172 | 0.59 | — | — | |
| SCHEMBL6496170 | 0.59 | — | — | |
| Bicarbonate SCHEMBL20943642 | 0.59 | THRB (0.43) | — | |
| SCHEMBL6395459 | 0.57 | SIGMAR1 (0.32) | — | |
| SCHEMBL25504200 | 0.57 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6949615-B2 | Monomer having electron-withdrawing group and process for preparing the same | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2005-09-27 | — | — | US | disclosed |
| EP-1331216-A1 | MONOMERS HAVING ELECTRON-WITHDRAWING GROUPS AND PROCESSES FOR PREPARING THE SAME | Daicel Chemical Industries, Ltd. (JP) | 2003-07-30 | — | — | EP | disclosed |
| US-20030059710-A1 | Monomer having electron-withdrawing group and process for preparing the same | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 2003-03-27 | — | — | US | disclosed |