⚠ 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 | |
|---|---|---|---|---|
| Boric Acid SCHEMBL17962526 | 0.84 | THRB (0.43) | — | |
| Boric Acid SCHEMBL4976220 | 0.84 | THRB (0.43) | — | |
| Boric Acid SCHEMBL594481 | 0.84 | THRB (0.43) | — | |
| Boric Acid SCHEMBL474845 | 0.84 | THRB (0.43) | — | |
| Boric Acid SCHEMBL28285073 | 0.84 | THRB (0.43) | — | |
| Boric Acid SCHEMBL4139673 | 0.84 | THRB (0.43) | — | |
| Tert-Butanol SCHEMBL282 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL3628777 | 0.82 | — | — | |
| Tert-Butanol SCHEMBL20503401 | 0.82 | ALDH1A1 (0.46) | — | |
| Tert-Butanol SCHEMBL788666 | 0.82 | ALDH1A1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105229099-B | Adhesive composition, adhesive composition for polarizing plate, adhesive for polarizing plate, and polarizing plate using same | 日本合成化学工业株式会社 | 2018-01-05 | — | — | CN | disclosed |
| US-6099588-A | IN A SODIUM HYDROXIDE, POTASSIUM HYDROXIDE, CALCIUM HYDROXIDE OR AMMONIUM HYDROXIDE ALKALI-CONTAINING ALCOHOL SOLUTION FOLLOWED BY A PROTEASE CONTAINING AQUEOUS SOLUTION; IMPROVED SHRINK RESISTANCE | NOVO NORDISK BIOCHEM NORTH AMERICA, INC. (US) | 2000-08-08 | — | — | US | disclosed |