⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6033390 | 0.85 | — | — | |
| SCHEMBL8468752 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL8165330 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL1717867 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL9796413 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL4400459 | 0.83 | THRB (0.38) | — | |
| SCHEMBL7712281 | 0.83 | THRB (0.38) | — | |
| SCHEMBL4390006 | 0.83 | THRB (0.38) | — | |
| SCHEMBL4401769 | 0.83 | THRB (0.38) | — | |
| SCHEMBL9318470 | 0.82 | ALDH1A1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0310919-B1 | Adhesive composition for biomaterial use | DAIKIN IND LTD (JP) | 1994-01-05 | — | — | EP | disclosed |
| US-5061184-A | Fluorine-containing acrylic esters; dentistry | DAIKIN INDUSTRIES, LTD. (JP) | 1991-10-29 | — | — | US | disclosed |
| EP-0310919-A2 | Adhesive composition for biomaterial use | DAIKIN INDUSTRIES, LIMITED (JP) | 1989-04-12 | — | — | EP | disclosed |