⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7147461 | 0.93 | — | — | |
| SCHEMBL7144020 | 0.90 | CYP2C9 (0.31) | — | |
| SCHEMBL6662340 | 0.87 | MAPT (0.37) | — | |
| SCHEMBL5555208 | 0.85 | CYP2C9 (0.31) | — | |
| SCHEMBL5560642 | 0.84 | CYP2C9 (0.33) | — | |
| SCHEMBL5561131 | 0.83 | CYP2C9 (0.30) | — | |
| SCHEMBL5560661 | 0.80 | — | — | |
| SCHEMBL7147454 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL5561758 | 0.79 | LPAR1 (0.30) | — | |
| SCHEMBL29045740 | 0.77 | CYP2C9 (0.40) | — |
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-9752049-B2 | Optically transparent, superhydrophobic, biocompatible thin film coatings and methods for producing same | UT-BATTELLE, LLC (US) | 2017-09-05 | — | — | US | claimed |
| EP-1360257-A1 | CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS | Loctite (R & D) Limited (IE) | 2003-11-12 | — | — | EP | disclosed |
| WO-2002053666-A1 | CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS | LOCTITE (R & D) LIMITED (IE) | 2002-07-11 | — | — | WO | disclosed |